WorldWideScience

Sample records for perturbation kinetic energy

  1. Dynamics of entropy perturbations in assisted dark energy with mixed kinetic terms

    International Nuclear Information System (INIS)

    Karwan, Khamphee

    2011-01-01

    We study dynamics of entropy perturbations in the two-field assisted dark energy model. Based on the scenario of assisted dark energy, in which one scalar field is subdominant compared with the other in the early epoch, we show that the entropy perturbations in this two-field system tend to be constant on large scales in the early epoch and hence survive until the present era for a generic evolution of both fields during the radiation and matter eras. This behaviour of the entropy perturbations is preserved even when the fields are coupled via kinetic interaction. Since, for assisted dark energy, the subdominant field in the early epoch becomes dominant at late time, the entropy perturbations can significantly influence the dynamics of density perturbations in the universe. Assuming correlations between the entropy and curvature perturbations, the entropy perturbations can enhance the integrated Sachs-Wolfe (ISW) effect if the signs of the contributions from entropy perturbations and curvature perturbations are opposite after the matter era, otherwise the ISW contribution is suppressed. For canonical scalar field the effect of entropy perturbations on ISW effect is small because the initial value of the entropy perturbations estimated during inflation cannot be sufficiently large. However, in the case of k-essence, the initial value of the entropy perturbations can be large enough to affect the ISW effect to leave a significant imprint on the CMB power spectrum

  2. On dark energy isocurvature perturbation

    International Nuclear Information System (INIS)

    Liu, Jie; Zhang, Xinmin; Li, Mingzhe

    2011-01-01

    Determining the equation of state of dark energy with astronomical observations is crucially important to understand the nature of dark energy. In performing a likelihood analysis of the data, especially of the cosmic microwave background and large scale structure data the dark energy perturbations have to be taken into account both for theoretical consistency and for numerical accuracy. Usually, one assumes in the global fitting analysis that the dark energy perturbations are adiabatic. In this paper, we study the dark energy isocurvature perturbation analytically and discuss its implications for the cosmic microwave background radiation and large scale structure. Furthermore, with the current astronomical observational data and by employing Markov Chain Monte Carlo method, we perform a global analysis of cosmological parameters assuming general initial conditions for the dark energy perturbations. The results show that the dark energy isocurvature perturbations are very weakly constrained and that purely adiabatic initial conditions are consistent with the data

  3. Flow-Induced New Channels of Energy Exchange in Multi-Scale Plasma Dynamics - Revisiting Perturbative Hybrid Kinetic-MHD Theory.

    Science.gov (United States)

    Shiraishi, Junya; Miyato, Naoaki; Matsunaga, Go

    2016-05-10

    It is found that new channels of energy exchange between macro- and microscopic dynamics exist in plasmas. They are induced by macroscopic plasma flow. This finding is based on the kinetic-magnetohydrodynamic (MHD) theory, which analyses interaction between macroscopic (MHD-scale) motion and microscopic (particle-scale) dynamics. The kinetic-MHD theory is extended to include effects of macroscopic plasma flow self-consistently. The extension is realised by generalising an energy exchange term due to wave-particle resonance, denoted by δ WK. The first extension is generalisation of the particle's Lagrangian, and the second one stems from modification to the particle distribution function due to flow. These extensions lead to a generalised expression of δ WK, which affects the MHD stability of plasmas.

  4. Kinetic energy budget details

    Indian Academy of Sciences (India)

    Abstract. This paper presents the detailed turbulent kinetic energy budget and higher order statistics of flow behind a surface-mounted rib with and without superimposed acoustic excitation. Pattern recognition technique is used to determine the large-scale structure magnitude. It is observed that most of the turbulence ...

  5. Perturbations in electromagnetic dark energy

    International Nuclear Information System (INIS)

    Jiménez, Jose Beltrán; Maroto, Antonio L.; Koivisto, Tomi S.; Mota, David F.

    2009-01-01

    It has been recently proposed that the presence of a temporal electromagnetic field on cosmological scales could explain the phase of accelerated expansion that the universe is currently undergoing. The field contributes as a cosmological constant and therefore, the homogeneous cosmology produced by such a model is exactly the same as that of ΛCDM. However, unlike a cosmological constant term, electromagnetic fields can acquire perturbations which in principle could affect CMB anisotropies and structure formation. In this work, we study the evolution of inhomogeneous scalar perturbations in this model. We show that provided the initial electromagnetic fluctuations generated during inflation are small, the model is perfectly compatible with both CMB and large scale structure observations at the same level of accuracy as ΛCDM

  6. Kinetic energy absorbing pad

    International Nuclear Information System (INIS)

    Bricmont, R.J.; Hamilton, P.A.; Ming Long Ting, R.

    1981-01-01

    Reactors, fuel processing plants etc incorporate pipes and conduits for fluids under high pressure. Fractures, particularly adjacent to conduit elbows, produce a jet of liquid which whips the broken conduit at an extremely high velocity. An enormous impact load would be applied to any stationary object in the conduit's path. The design of cellular, corrugated metal impact pads to absorb the kinetic energy of the high velocity conduits is given. (U.K.)

  7. Multigroup perturbation model for kinetic analysis of nuclear reactors

    International Nuclear Information System (INIS)

    Souza, G.M.

    1989-01-01

    The scope of this work is the development of a multigroup perturbation theory for the purpose of Kinetic and dynamic analysis of nuclear reactors. The equations that describe the reactor behavior were presented in all generality and written in the shorthand notation of matrices and vectors. In the derivation of those equations indetermined operators and discretizing factors were introduced and then determined by comparision with conventional equations. Fick's Law was developed in higher orders for neutron and importance current density. The solution of the direct and adjoint fields were represented by combination of the eigenfunctions of the B and B* operators and the eigenvalue modulus equality was established mathematically. In the derivation of the reactivity expression the B operator perturbation was split in two non coupled to the flux form and level. The prompt neutrons effective mean life was derived from reactor equations and importance conservation. The establishment of the Nordheim's equation, although modified, was based on Gandini. Finally, a mathematical interpretation of the flux-trap region was avented. (author)

  8. Kinetic energy principle and neoclassical toroidal torque in tokamaks

    International Nuclear Information System (INIS)

    Park, Jong-Kyu

    2011-01-01

    It is shown that when tokamaks are perturbed, the kinetic energy principle is closely related to the neoclassical toroidal torque by the action invariance of particles. Especially when tokamaks are perturbed from scalar pressure equilibria, the imaginary part of the potential energy in the kinetic energy principle is equivalent to the toroidal torque by the neoclassical toroidal viscosity. A unified description therefore should be made for both physics. It is also shown in this case that the potential energy operator can be self-adjoint and thus the stability calculation can be simplified by minimizing the potential energy.

  9. Anisotropic perturbations due to dark energy

    International Nuclear Information System (INIS)

    Battye, Richard A.; Moss, Adam

    2006-01-01

    A variety of observational tests seem to suggest that the Universe is anisotropic. This is incompatible with the standard dogma based on adiabatic, rotationally invariant perturbations. We point out that this is a consequence of the standard decomposition of the stress-energy tensor for the cosmological fluids, and that rotational invariance need not be assumed, if there is elastic rigidity in the dark energy. The dark energy required to achieve this might be provided by point symmetric domain wall network with P/ρ=-2/3, although the concept is more general. We illustrate this with reference to a model with cubic symmetry and discuss various aspects of the model

  10. The energy of perturbations for Vlasov plasmas

    International Nuclear Information System (INIS)

    Morrison, P.J.

    1994-02-01

    The energy content of electrostatic perturbations about homogeneous equilibria is discussed. The calculation leading to the well-known dielectric (or as it is sometimes called the wave) energy is revisited and interpreted in light of Vlasov theory. It is argued that this quantity is deficient because resonant particles are not correctly handled. A linear integral transform is presented that solves the linear Vlasov-Poisson equation. This solution together with the Kruskal-Oberman energy [Phys. Fluids 1, 275 (1958)] is used to obtain an energy expression in terms of the electric field [Phys. Fluids B 4, 3038 (1992)]. It is described how the integral transform amounts to a change to normal coordinates in an infinite dimensional Hamiltonian system

  11. Kinetic energy storage system

    Energy Technology Data Exchange (ETDEWEB)

    Jaeggi, M.; Folini, P.

    1983-09-03

    A flywheel system for the purpose of energy storage in decentral solar- or wind energy plants is introduced. The system comprises a rotor made out of plastic fibre, a motor/generator serving as electro-mechanical energy converter and a frequency-voltage transformer serving as electric adapter. The storable energy quantity amounts to several kWh.

  12. The kinetic theory and stability of a stochastic plasma with respect to low frequency perturbations and magnetospheric convection

    International Nuclear Information System (INIS)

    Hurricane, O.A.

    1994-09-01

    In this dissertation, a new linear Vlasov kinetic theory is developed for calculating the plasma response to perturbing electromagnetic fields in cases where the particle dynamics are stochastic; for modes with frequencies less than the typical particle bounce frequency. A variational form is arrived at which allows one to properly perform a stability analysis for a stochastic plasma. In the case of stochastic dynamics, the authors demonstrate that the plasma responds to the flux tube volume average of the perturbing potentials as opposed to the usual case of adiabatic dynamics where plasma responds to the bounce average of the perturbed potentials. They show that for the stochastic plasma, the kinetic variational form maps into the Bernstein energy principle if the perturbation frequency is large compared to all drift frequencies, the perpendicular wavelength is large compared to the Larmor radius, and vanishing of the potentials associated with the parallel electric field are all assumed. By explicit minimization of the energy principle, it is established that the stochastic plasma is always less stable than an adiabatic plasma. Lastly, the effect of strictly enforcing the quasi-neutrality (QN) condition upon a gyro-kinetic type stability analysis is explored. From simple mathematical considerations, it is shown that when the QN condition is imposed convective type modes that are equipotentials along magnetic field lines are created that alter the stability properties of the plasma. The pertinent modifications to the Bernstein energy principle are given

  13. Nonlinear spherical perturbations in quintessence models of dark energy

    Science.gov (United States)

    Pratap Rajvanshi, Manvendra; Bagla, J. S.

    2018-06-01

    Observations have confirmed the accelerated expansion of the universe. The accelerated expansion can be modelled by invoking a cosmological constant or a dynamical model of dark energy. A key difference between these models is that the equation of state parameter w for dark energy differs from ‑1 in dynamical dark energy (DDE) models. Further, the equation of state parameter is not constant for a general DDE model. Such differences can be probed using the variation of scale factor with time by measuring distances. Another significant difference between the cosmological constant and DDE models is that the latter must cluster. Linear perturbation analysis indicates that perturbations in quintessence models of dark energy do not grow to have a significant amplitude at small length scales. In this paper we study the response of quintessence dark energy to non-linear perturbations in dark matter. We use a fully relativistic model for spherically symmetric perturbations. In this study we focus on thawing models. We find that in response to non-linear perturbations in dark matter, dark energy perturbations grow at a faster rate than expected in linear perturbation theory. We find that dark energy perturbation remains localised and does not diffuse out to larger scales. The dominant drivers of the evolution of dark energy perturbations are the local Hubble flow and a supression of gradients of the scalar field. We also find that the equation of state parameter w changes in response to perturbations in dark matter such that it also becomes a function of position. The variation of w in space is correlated with density contrast for matter. Variation of w and perturbations in dark energy are more pronounced in response to large scale perturbations in matter while the dependence on the amplitude of matter perturbations is much weaker.

  14. On the kinetic energy density

    International Nuclear Information System (INIS)

    Lombard, R.J.; Mas, D.; Moszkowski, S.A.

    1991-01-01

    We discuss two expressions for the density of kinetic energy which differ by an integration by parts. Using the Wigner transform we shown that the arithmetic mean of these two terms is closely analogous to the classical value. Harmonic oscillator wavefunctions are used to illustrate the radial dependence of these expressions. We study the differences they induce through effective mass terms when performing self-consistent calculations. (author)

  15. Non-adiabatic perturbations in Ricci dark energy model

    International Nuclear Information System (INIS)

    Karwan, Khamphee; Thitapura, Thiti

    2012-01-01

    We show that the non-adiabatic perturbations between Ricci dark energy and matter can grow both on superhorizon and subhorizon scales, and these non-adiabatic perturbations on subhorizon scales can lead to instability in this dark energy model. The rapidly growing non-adiabatic modes on subhorizon scales always occur when the equation of state parameter of dark energy starts to drop towards -1 near the end of matter era, except that the parameter α of Ricci dark energy equals to 1/2. In the case where α = 1/2, the rapidly growing non-adiabatic modes disappear when the perturbations in dark energy and matter are adiabatic initially. However, an adiabaticity between dark energy and matter perturbations at early time implies a non-adiabaticity between matter and radiation, this can influence the ordinary Sachs-Wolfe (OSW) effect. Since the amount of Ricci dark energy is not small during matter domination, the integrated Sachs-Wolfe (ISW) effect is greatly modified by density perturbations of dark energy, leading to a wrong shape of CMB power spectrum. The instability in Ricci dark energy is difficult to be alleviated if the effects of coupling between baryon and photon on dark energy perturbations are included

  16. Effect of Dark Energy Perturbation on Cosmic Voids Formation

    Science.gov (United States)

    Endo, Takao; Nishizawa, Atsushi J.; Ichiki, Kiyotomo

    2018-05-01

    In this paper, we present the effects of dark energy perturbation on the formation and abundance of cosmic voids. We consider dark energy to be a fluid with a negative pressure characterised by a constant equation of state w and speed of sound c_s^2. By solving fluid equations for two components, namely, dark matter and dark energy fluids, we quantify the effects of dark energy perturbation on the sizes of top-hat voids. We also explore the effects on the size distribution of voids based on the excursion set theory. We confirm that dark energy perturbation negligibly affects the size evolution of voids; c_s^2=0 varies the size only by 0.1% as compared to the homogeneous dark energy model. We also confirm that dark energy perturbation suppresses the void size when w -1 (Basse et al. 2011). In contrast to the negligible impact on the size, we find that the size distribution function on scales larger than 10 Mpc/h highly depends on dark energy perturbation; compared to the homogeneous dark energy model, the number of large voids of radius 30Mpc is 25% larger for the model with w = -0.9 and c_s^2=0 while they are 20% less abundant for the model with w = -1.3 and c_s^2=0.

  17. Perturbative method for the derivation of quantum kinetic theory based on closed-time-path formalism

    International Nuclear Information System (INIS)

    Koide, Jun

    2002-01-01

    Within the closed-time-path formalism, a perturbative method is presented, which reduces the microscopic field theory to the quantum kinetic theory. In order to make this reduction, the expectation value of a physical quantity must be calculated under the condition that the Wigner distribution function is fixed, because it is the independent dynamical variable in the quantum kinetic theory. It is shown that when a nonequilibrium Green function in the form of the generalized Kadanoff-Baym ansatz is utilized, this condition appears as a cancellation of a certain part of contributions in the diagrammatic expression of the expectation value. Together with the quantum kinetic equation, which can be derived in the closed-time-path formalism, this method provides a basis for the kinetic-theoretical description

  18. Perturbation method for calculating impurity binding energy in an ...

    Indian Academy of Sciences (India)

    Nilanjan Sil

    2017-12-18

    Dec 18, 2017 ... Abstract. In the present paper, we have studied the binding energy of the shallow donor hydrogenic impurity, which is confined in an inhomogeneous cylindrical quantum dot (CQD) of GaAs-AlxGa1−xAs. Perturbation method is used to calculate the binding energy within the framework of effective mass ...

  19. Split kinetic energy method for quantum systems with competing potentials

    International Nuclear Information System (INIS)

    Mineo, H.; Chao, Sheng D.

    2012-01-01

    For quantum systems with competing potentials, the conventional perturbation theory often yields an asymptotic series and the subsequent numerical outcome becomes uncertain. To tackle such a kind of problems, we develop a general solution scheme based on a new energy dissection idea. Instead of dividing the potential energy into “unperturbed” and “perturbed” terms, a partition of the kinetic energy is performed. By distributing the kinetic energy term in part into each individual potential, the Hamiltonian can be expressed as the sum of the subsystem Hamiltonians with respective competing potentials. The total wavefunction is expanded by using a linear combination of the basis sets of respective subsystem Hamiltonians. We first illustrate the solution procedure using a simple system consisting of a particle under the action of double δ-function potentials. Next, this method is applied to the prototype systems of a charged harmonic oscillator in strong magnetic field and the hydrogen molecule ion. Compared with the usual perturbation approach, this new scheme converges much faster to the exact solutions for both eigenvalues and eigenfunctions. When properly extended, this new solution scheme can be very useful for dealing with strongly coupling quantum systems. - Highlights: ► A new basis set expansion method is proposed. ► Split kinetic energy method is proposed to solve quantum eigenvalue problems. ► Significant improvement has been obtained in converging to exact results. ► Extension of such methods is promising and discussed.

  20. Perturbative description of inclusive energy spectra

    Energy Technology Data Exchange (ETDEWEB)

    Lupia, S. [Max-Planck-Institut fuer Physik, Muenchen (Germany). Werner-Heisenberg-Institut

    1996-03-01

    The recent LEP-1.5 data of charged particle inclusive energy spectra are analyzed within the analytical QCD approach based on modified leading log approximation plus local parton hadron duality. The shape, the position of the maximum and the cumulant moments of the inclusive energy spectrum are well described within this model. The sensitivity of the results to the running of the coupling is pointed out. A scaling law for the one-particle invariant density E dn/d{sup 3}p at small momenta is observed, consistently with the predictions of colour coherence in soft gluon bremsstrahlung. (orig.).

  1. Perturbative description of inclusive energy spectra

    International Nuclear Information System (INIS)

    Lupia, S.

    1996-01-01

    The recent LEP-1.5 data of charged particle inclusive energy spectra are analyzed within the analytical QCD approach based on modified leading log approximation plus local parton hadron duality. The shape, the position of the maximum and the cumulant moments of the inclusive energy spectrum are well described within this model. The sensitivity of the results to the running of the coupling is pointed out. A scaling law for the one-particle invariant density E dn/d 3 p at small momenta is observed, consistently with the predictions of colour coherence in soft gluon bremsstrahlung. (orig.)

  2. Omega-mode perturbation theory and reactor kinetics for analyzing accelerator-driven subcritical systems

    International Nuclear Information System (INIS)

    Ren-Tai, Chiang

    2003-01-01

    An ω-mode first-order perturbation theory is developed for analyzing the time- and space-dependent neutron behavior in Accelerator-Driven Subcritical Systems (ADSS). The generalized point-kinetics equations are systematically derived using the ω-mode first-order perturbation theory and Fredholm Alternative Theorem. Seven sets of the ω-mode eigenvalues exist with using six groups of delayed neutrons and all ω eigenvalues are negative in ADSS. Seven ω-mode adjoint and forward eigenfunctions are employed to form the point-kinetic parameters. The neutron flux is expressed as a linear combination of the products of seven ω-eigenvalue-mode shape functions and their corresponding time functions up to the first order terms, and the lowest negative ω-eigenvalue mode is the dominant mode. (author)

  3. Concepts of radial and angular kinetic energies

    DEFF Research Database (Denmark)

    Dahl, Jens Peder; Schleich, W.P.

    2002-01-01

    We consider a general central-field system in D dimensions and show that the division of the kinetic energy into radial and angular parts proceeds differently in the wave-function picture and the Weyl-Wigner phase-space picture, Thus, the radial and angular kinetic energies are different quantities...

  4. Turbulence generation through intense kinetic energy sources

    Science.gov (United States)

    Maqui, Agustin F.; Donzis, Diego A.

    2016-06-01

    Direct numerical simulations (DNS) are used to systematically study the development and establishment of turbulence when the flow is initialized with concentrated regions of intense kinetic energy. This resembles both active and passive grids which have been extensively used to generate and study turbulence in laboratories at different Reynolds numbers and with different characteristics, such as the degree of isotropy and homogeneity. A large DNS database was generated covering a wide range of initial conditions with a focus on perturbations with some directional preference, a condition found in active jet grids and passive grids passed through a contraction as well as a new type of active grid inspired by the experimental use of lasers to photo-excite the molecules that comprise the fluid. The DNS database is used to assert under what conditions the flow becomes turbulent and if so, the time required for this to occur. We identify a natural time scale of the problem which indicates the onset of turbulence and a single Reynolds number based exclusively on initial conditions which controls the evolution of the flow. It is found that a minimum Reynolds number is needed for the flow to evolve towards fully developed turbulence. An extensive analysis of single and two point statistics, velocity as well as spectral dynamics and anisotropy measures is presented to characterize the evolution of the flow towards realistic turbulence.

  5. Constraints on stress-energy perturbations in general relativity

    International Nuclear Information System (INIS)

    Traschen, J.

    1985-01-01

    Conditions are found for the existence of integral constraints on stress-energy perturbations in general relativity. The integral constraints can be thought of as a general-relativistic generalization of the conservation of energy and momentum of matter perturbations in special relativity. The constraints are stated in terms of a vector field V, and the Robertson-Walker spacetimes are shown to have such constraint vectors. Although in general V is not a Killing vector, in a vacuum spacetime the constraint vectors are precisely the Killing vectors

  6. Dark energy and dark matter perturbations in singular universes

    International Nuclear Information System (INIS)

    Denkiewicz, Tomasz

    2015-01-01

    We discuss the evolution of density perturbations of dark matter and dark energy in cosmological models which admit future singularities in a finite time. Up to now geometrical tests of the evolution of the universe do not differentiate between singular universes and ΛCDM scenario. We solve perturbation equations using the gauge invariant formalism. The analysis shows that the detailed reconstruction of the evolution of perturbations within singular cosmologies, in the dark sector, can exhibit important differences between the singular universes models and the ΛCDM cosmology. This is encouraging for further examination and gives hope for discriminating between those models with future galaxy weak lensing experiments like the Dark Energy Survey (DES) and Euclid or CMB observations like PRISM and CoRE

  7. The accuracy of QCD perturbation theory at high energies

    CERN Document Server

    Dalla Brida, Mattia; Korzec, Tomasz; Ramos, Alberto; Sint, Stefan; Sommer, Rainer

    2016-01-01

    We discuss the determination of the strong coupling $\\alpha_\\mathrm{\\overline{MS}}^{}(m_\\mathrm{Z})$ or equivalently the QCD $\\Lambda$-parameter. Its determination requires the use of perturbation theory in $\\alpha_s(\\mu)$ in some scheme, $s$, and at some energy scale $\\mu$. The higher the scale $\\mu$ the more accurate perturbation theory becomes, owing to asymptotic freedom. As one step in our computation of the $\\Lambda$-parameter in three-flavor QCD, we perform lattice computations in a scheme which allows us to non-perturbatively reach very high energies, corresponding to $\\alpha_s = 0.1$ and below. We find that perturbation theory is very accurate there, yielding a three percent error in the $\\Lambda$-parameter, while data around $\\alpha_s \\approx 0.2$ is clearly insufficient to quote such a precision. It is important to realize that these findings are expected to be generic, as our scheme has advantageous properties regarding the applicability of perturbation theory.

  8. Energy momentum tensor in local causal perturbation theory

    International Nuclear Information System (INIS)

    Prange, D.

    2001-01-01

    We study the energy momentum tensor in the Bogolyubov-Epstein-Glaser approach to perturbation theory. It is found to be locally conserved for a class of theories containing to derivated fields in the interaction. For the massless φ 4 -theory we derive the trace anomaly of the improved tensor. (orig.)

  9. Geometric scaling in ultrahigh energy neutrinos and nonlinear perturbative QCD

    International Nuclear Information System (INIS)

    Machado, Magno V.T.

    2011-01-01

    The ultrahigh energy neutrino cross section is a crucial ingredient in the calculation of the event rate in high energy neutrino telescopes. Currently there are several approaches which predict different behaviors for its magnitude for ultrahigh energies. In this contribution is presented a summary of current predictions based on the non-linear QCD evolution equations, the so-called perturbative saturation physics. In particular, predictions are shown based on the parton saturation approaches and the consequences of geometric scaling property at high energies are discussed. The scaling property allows an analytical computation of the neutrino scattering on nucleon/nucleus at high energies, providing a theoretical parameterization. (author)

  10. High energy deep inelastic scattering in perturbative quantum chromodynamics

    International Nuclear Information System (INIS)

    Wallon, S.

    1996-01-01

    In this PhD thesis, we deal with high energy Deep Inelastic Scattering in Perturbative Quantum Chromodynamics (QCD). In this work, two main topics are emphasized: The first one deals with dynamics based on perturbative renormalization group, and on perturbative Regge approaches. We discuss the applicability of these predictions, the possibility of distinguishing them in the HERA experiments, and their unification. We prove that the perturbative Regge dynamic can be successfully applied to describe the HERA data. Different observables are proposed for distinguishing these two approaches. We show that these two predictions can be unified in a system of equations. In the second one, unitarization and saturation problems in high energy QCD are discussed. In the multi-Regge approach, equivalent to the integrable one-dimensional XXX Heisenberg spin chain, we develop methods in order to solve this system, based on the Functional Bethe Ansatz. In the dipole model context, we propose a new formulation of unitarity and saturation effects, using Wilson loops. (author)

  11. Internal wave energy flux from density perturbations in nonlinear stratifications

    Science.gov (United States)

    Lee, Frank M.; Allshouse, Michael R.; Swinney, Harry L.; Morrison, P. J.

    2017-11-01

    Tidal flow over the topography at the bottom of the ocean, whose density varies with depth, generates internal gravity waves that have a significant impact on the energy budget of the ocean. Thus, understanding the energy flux (J = p v) is important, but it is difficult to measure simultaneously the pressure and velocity perturbation fields, p and v . In a previous work, a Green's-function-based method was developed to calculate the instantaneous p, v , and thus J , given a density perturbation field for a constant buoyancy frequency N. Here we extend the previous analytic Green's function work to include nonuniform N profiles, namely the tanh-shaped and linear cases, because background density stratifications that occur in the ocean and some experiments are nonlinear. In addition, we present a finite-difference method for the general case where N has an arbitrary profile. Each method is validated against numerical simulations. The methods we present can be applied to measured density perturbation data by using our MATLAB graphical user interface EnergyFlux. PJM was supported by the U.S. Department of Energy Contract DE-FG05-80ET-53088. HLS and MRA were supported by ONR Grant No. N000141110701.

  12. Measuring the speed of dark: Detecting dark energy perturbations

    International Nuclear Information System (INIS)

    Putter, Roland de; Huterer, Dragan; Linder, Eric V.

    2010-01-01

    The nature of dark energy can be probed not only through its equation of state but also through its microphysics, characterized by the sound speed of perturbations to the dark energy density and pressure. As the sound speed drops below the speed of light, dark energy inhomogeneities increase, affecting both cosmic microwave background and matter power spectra. We show that current data can put no significant constraints on the value of the sound speed when dark energy is purely a recent phenomenon, but can begin to show more interesting results for early dark energy models. For example, the best fit model for current data has a slight preference for dynamics [w(a)≠-1], degrees of freedom distinct from quintessence (c s ≠1), and early presence of dark energy [Ω de (a<<1)≠0]. Future data may open a new window on dark energy by measuring its spatial as well as time variation.

  13. Roles of dark energy perturbations in dynamical dark energy models: can we ignore them?

    Science.gov (United States)

    Park, Chan-Gyung; Hwang, Jai-chan; Lee, Jae-heon; Noh, Hyerim

    2009-10-09

    We show the importance of properly including the perturbations of the dark energy component in the dynamical dark energy models based on a scalar field and modified gravity theories in order to meet with present and future observational precisions. Based on a simple scaling scalar field dark energy model, we show that observationally distinguishable substantial differences appear by ignoring the dark energy perturbation. By ignoring it the perturbed system of equations becomes inconsistent and deviations in (gauge-invariant) power spectra depend on the gauge choice.

  14. Nanostructured energy devices equilibrium concepts and kinetics

    CERN Document Server

    Bisquert, Juan

    2014-01-01

    Due to the pressing needs of society, low cost materials for energy devices have experienced an outstanding development in recent times. In this highly multidisciplinary area, chemistry, material science, physics, and electrochemistry meet to develop new materials and devices that perform required energy conversion and storage processes with high efficiency, adequate capabilities for required applications, and low production cost. Nanostructured Energy Devices: Equilibrium Concepts and Kinetics introduces the main physicochemical principles that govern the operation of energy devices. It inclu

  15. Alternative kinetic energy metrics for Lagrangian systems

    Science.gov (United States)

    Sarlet, W.; Prince, G.

    2010-11-01

    We examine Lagrangian systems on \\ {R}^n with standard kinetic energy terms for the possibility of additional, alternative Lagrangians with kinetic energy metrics different to the Euclidean one. Using the techniques of the inverse problem in the calculus of variations we find necessary and sufficient conditions for the existence of such Lagrangians. We illustrate the problem in two and three dimensions with quadratic and cubic potentials. As an aside we show that the well-known anomalous Lagrangians for the Coulomb problem can be removed by switching on a magnetic field, providing an appealing resolution of the ambiguous quantizations of the hydrogen atom.

  16. The energy-momentum tensor for the linearized Maxwell-Vlasov and kinetic guiding center theories

    International Nuclear Information System (INIS)

    Pfirsch, D.; Morrison, P.J.; Texas Univ., Austin

    1990-02-01

    A modified Hamilton-Jacobi formalism is introduced as a tool to obtain the energy-momentum and angular-momentum tensors for any kind of nonlinear or linearized Maxwell-collisionless kinetic theories. The emphasis is on linearized theories, for which these tensors are derived for the first time. The kinetic theories treated - which need not be the same for all particle species in a plasma - are the Vlasov and kinetic guiding center theories. The Hamiltonian for the guiding center motion is taken in the form resulting from Dirac's constraint theory for non-standard Lagrangian systems. As an example of the Maxwell-kinetic guiding center theory, the second-order energy for a perturbed homogeneous magnetized plasma is calculated with initially vanishing field perturbations. The expression obtained is compared with the corresponding one of Maxwell-Vlasov theory. (orig.)

  17. The energy-momentum tensor for the linearized Maxwell-Vlasov and kinetic guiding center theories

    International Nuclear Information System (INIS)

    Pfirsch, D.; Morrison, P.J.

    1990-02-01

    A modified Hamilton-Jacobi formalism is introduced as a tool to obtain the energy-momentum and angular-momentum tensors for any king of nonlinear or linearized Maxwell-collisionless kinetic theories. The emphasis is on linearized theories, for which these tensors are derived for the first time. The kinetic theories treated --- which need not be the same for all particle species in a plasma --- are the Vlasov and kinetic guiding center theories. The Hamiltonian for the guiding center motion is taken in the form resulting from Dirac's constraint theory for non-standard Lagrangian systems. As an example of the Maxwell-kinetic guiding center theory, the second-order energy for a perturbed homogeneous magnetized plasma is calculated with initially vanishing field perturbations. The expression obtained is compared with the corresponding one of Maxwell-Vlasov theory. 11 refs

  18. Nonlocal kinetic-energy-density functionals

    International Nuclear Information System (INIS)

    Garcia-Gonzalez, P.; Alvarellos, J.E.; Chacon, E.

    1996-01-01

    In this paper we present nonlocal kinetic-energy functionals T[n] within the average density approximation (ADA) framework, which do not require any extra input when applied to any electron system and recover the exact kinetic energy and the linear response function of a homogeneous system. In contrast with previous ADA functionals, these present good behavior of the long-range tail of the exact weight function. The averaging procedure for the kinetic functional (averaging the Fermi momentum of the electron gas, instead of averaging the electron density) leads to a functional without numerical difficulties in the calculation of extended systems, and it gives excellent results when applied to atoms and jellium surfaces. copyright 1996 The American Physical Society

  19. Generalizing a unified model of dark matter, dark energy, and inflation with a noncanonical kinetic term

    International Nuclear Information System (INIS)

    De-Santiago, Josue; Cervantes-Cota, Jorge L.

    2011-01-01

    We study a unification model for dark energy, dark matter, and inflation with a single scalar field with noncanonical kinetic term. In this model, the kinetic term of the Lagrangian accounts for the dark matter and dark energy, and at early epochs, a quadratic potential accounts for slow roll inflation. The present work is an extension to the work by Bose and Majumdar [Phys. Rev. D 79, 103517 (2009).] with a more general kinetic term that was proposed by Chimento in Phys. Rev. D 69, 123517 (2004). We demonstrate that the model is viable at the background and linear perturbation levels.

  20. TP1 - A computer program for the calculation of reactivity and kinetic parameters by one-dimensional neutron transport perturbation theory

    International Nuclear Information System (INIS)

    Kobayashi, K.

    1979-03-01

    TP1, a FORTRAN-IV program based on transport theory, has been developed to determine reactivity effects and kinetic parameters such as effective delayed neutron fractions and mean generation time by applying the usual perturbation formalism for one-dimensional geometry. Direct and adjoint angular dependent neutron fluxes are read from an interface file prepared by using the one-dimensional Ssub(n)-code DTK which provides options for slab, cylindrical and spherical geometry. Multigroup cross sections which are equivalent to those of the DTK-calculations are supplied in the SIGM-block which is also read from an interface file. This block which is usually produced by the code GRUCAL should contain the necessary delayed neutron data, which can be added to the original SIGMN-block by using the code SIGMUT. Two perturbation options are included in TP1: a) the usual first oder perturbation theory can be applied to determine probe reactivities, b) assuming that there are available direct fluxes for the unperturbed reactor system and adjoint fluxes for the perturbed system, the exact reactivity effect induced by the perturbation can be determined by an exact perturbation calculation. According to the input specifications, the output lists the reactivity contributions for each neutron reaction process in the desired detailed spatial and energy group resolution. (orig./RW) [de

  1. Temperatures of fragment kinetic energy spectra

    International Nuclear Information System (INIS)

    Bauer, W.

    1995-01-01

    Multifragmentation reactions without large compression in the initial state (proton-induced reactions, reverse kinematics, projectile fragmentation) are examined, and it is verified quantitatively that the high temperatures obtained from fragment kinetic energy spectra and lower temperatures obtained from observables such as level population or isotope ratios can be understood in a common framework

  2. Aircraft Measurements of Atmospheric Kinetic Energy Spectra

    DEFF Research Database (Denmark)

    Lundtang Petersen, Erik; Lilly, D. K.

    1983-01-01

    Wind velocity data obtained from a jet airliner are used to construct kinetic energy spectra over the range of wavelengths from 2.5 to 2500 km. The spectra exhibit an approximate -5/3 slope for wavelengths of less than about 150 km, steepening to about -2.2 at larger scales. These results support...

  3. Energy transfer and kinetics in mechanochemistry.

    Science.gov (United States)

    Chen, Zhiliang; Lu, Shengyong; Mao, Qiongjing; Buekens, Alfons; Wang, Yuting; Yan, Jianhua

    2017-11-01

    Mechanochemistry (MC) exerts extraordinary degradation and decomposition effects on many chlorinated, brominated, and even fluorinated persistent organic pollutants (POPs). However, its application is still limited by inadequate study of its reaction kinetic aspects. In the present work, the ball motion and energy transfer in planetary ball mill are investigated in some detail. Almost all milling parameters are summarised in a single factor-total effective impact energy. Furthermore, the MC kinetic between calcium oxide/Al and hexachlorobenzene is well established and modelled. The results indicate that total effective impact energy and reagent ratio are the two factors sufficient for describing the MC degradation degree of POPs. The reaction rate constant only depends on the chemical properties of reactants, so it could be used as an important index to appraise the quality of MC additives. This model successfully predicts the reaction rate for different operating conditions, indicating that it could be suitably applied for conducting MC reactions in other reactors.

  4. Low CMB quadrupole from dark energy isocurvature perturbations

    International Nuclear Information System (INIS)

    Gordon, Christopher; Hu, Wayne

    2004-01-01

    We explicate the origin of the temperature quadrupole in the adiabatic dark energy model and explore the mechanism by which scale invariant isocurvature dark energy perturbations can lead to its sharp suppression. The model requires anticorrelated curvature and isocurvature fluctuations and is favored by the Wilkinson Microwave Anisotropy Probe data at about the 95% confidence level in a flat scale invariant model. In an inflationary context, the anticorrelation may be established if the curvature fluctuations originate from a variable decay rate of the inflaton; such models however tend to overpredict gravitational waves. This isocurvature model can in the future be distinguished from alternatives involving a reduction in large scale power or modifications to the sound speed of the dark energy through the polarization and its cross correlation with the temperature. The isocurvature model retains the same polarization fluctuations as its adiabatic counterpart but reduces the correlated temperature fluctuations. We present a pedagogical discussion of dark energy fluctuations in a quintessence and k-essence context in the Appendix

  5. Imperfect dark energy from kinetic gravity braiding

    Energy Technology Data Exchange (ETDEWEB)

    Deffayet, Cédric [AstroParticule and Cosmologie, UMR7164-CNRS, Université Denis Diderot-Paris 7, CEA, Observatoire de Paris, 10 rue Alice Domon et Léonie Duquet, F-75205 Paris Cedex 13 (France); Pujolàs, Oriol [CERN, Theory Division, CH-1211 Geneva 23 (Switzerland); Sawicki, Ignacy; Vikman, Alexander, E-mail: deffayet@iap.fr, E-mail: oriol.pujolas@cern.ch, E-mail: ignacy.sawicki@nyu.edu, E-mail: alexander.vikman@nyu.edu [Center for Cosmology and Particle Physics, New York University, New York, NY 10003 (United States)

    2010-10-01

    We introduce a large class of scalar-tensor models with interactions containing the second derivatives of the scalar field but not leading to additional degrees of freedom. These models exhibit peculiar features, such as an essential mixing of scalar and tensor kinetic terms, which we have named kinetic braiding. This braiding causes the scalar stress tensor to deviate from the perfect-fluid form. Cosmology in these models possesses a rich phenomenology, even in the limit where the scalar is an exact Goldstone boson. Generically, there are attractor solutions where the scalar monitors the behaviour of external matter. Because of the kinetic braiding, the position of the attractor depends both on the form of the Lagrangian and on the external energy density. The late-time asymptotic of these cosmologies is a de Sitter state. The scalar can exhibit phantom behaviour and is able to cross the phantom divide with neither ghosts nor gradient instabilities. These features provide a new class of models for Dark Energy. As an example, we study in detail a simple one-parameter model. The possible observational signatures of this model include a sizeable Early Dark Energy and a specific equation of state evolving into the final de-Sitter state from a healthy phantom regime.

  6. Imperfect dark energy from kinetic gravity braiding

    International Nuclear Information System (INIS)

    Deffayet, Cédric; Pujolàs, Oriol; Sawicki, Ignacy; Vikman, Alexander

    2010-01-01

    We introduce a large class of scalar-tensor models with interactions containing the second derivatives of the scalar field but not leading to additional degrees of freedom. These models exhibit peculiar features, such as an essential mixing of scalar and tensor kinetic terms, which we have named kinetic braiding. This braiding causes the scalar stress tensor to deviate from the perfect-fluid form. Cosmology in these models possesses a rich phenomenology, even in the limit where the scalar is an exact Goldstone boson. Generically, there are attractor solutions where the scalar monitors the behaviour of external matter. Because of the kinetic braiding, the position of the attractor depends both on the form of the Lagrangian and on the external energy density. The late-time asymptotic of these cosmologies is a de Sitter state. The scalar can exhibit phantom behaviour and is able to cross the phantom divide with neither ghosts nor gradient instabilities. These features provide a new class of models for Dark Energy. As an example, we study in detail a simple one-parameter model. The possible observational signatures of this model include a sizeable Early Dark Energy and a specific equation of state evolving into the final de-Sitter state from a healthy phantom regime

  7. Virtual substitution scan via single-step free energy perturbation.

    Science.gov (United States)

    Chiang, Ying-Chih; Wang, Yi

    2016-02-05

    With the rapid expansion of our computing power, molecular dynamics (MD) simulations ranging from hundreds of nanoseconds to microseconds or even milliseconds have become increasingly common. The majority of these long trajectories are obtained from plain (vanilla) MD simulations, where no enhanced sampling or free energy calculation method is employed. To promote the 'recycling' of these trajectories, we developed the Virtual Substitution Scan (VSS) toolkit as a plugin of the open-source visualization and analysis software VMD. Based on the single-step free energy perturbation (sFEP) method, VSS enables the user to post-process a vanilla MD trajectory for a fast free energy scan of substituting aryl hydrogens by small functional groups. Dihedrals of the functional groups are sampled explicitly in VSS, which improves the performance of the calculation and is found particularly important for certain groups. As a proof-of-concept demonstration, we employ VSS to compute the solvation free energy change upon substituting the hydrogen of a benzene molecule by 12 small functional groups frequently considered in lead optimization. Additionally, VSS is used to compute the relative binding free energy of four selected ligands of the T4 lysozyme. Overall, the computational cost of VSS is only a fraction of the corresponding multi-step FEP (mFEP) calculation, while its results agree reasonably well with those of mFEP, indicating that VSS offers a promising tool for rapid free energy scan of small functional group substitutions. This article is protected by copyright. All rights reserved. © 2016 Wiley Periodicals, Inc.

  8. Determination of partial molar volumes from free energy perturbation theory.

    Science.gov (United States)

    Vilseck, Jonah Z; Tirado-Rives, Julian; Jorgensen, William L

    2015-04-07

    Partial molar volume is an important thermodynamic property that gives insights into molecular size and intermolecular interactions in solution. Theoretical frameworks for determining the partial molar volume (V°) of a solvated molecule generally apply Scaled Particle Theory or Kirkwood-Buff theory. With the current abilities to perform long molecular dynamics and Monte Carlo simulations, more direct methods are gaining popularity, such as computing V° directly as the difference in computed volume from two simulations, one with a solute present and another without. Thermodynamically, V° can also be determined as the pressure derivative of the free energy of solvation in the limit of infinite dilution. Both approaches are considered herein with the use of free energy perturbation (FEP) calculations to compute the necessary free energies of solvation at elevated pressures. Absolute and relative partial molar volumes are computed for benzene and benzene derivatives using the OPLS-AA force field. The mean unsigned error for all molecules is 2.8 cm(3) mol(-1). The present methodology should find use in many contexts such as the development and testing of force fields for use in computer simulations of organic and biomolecular systems, as a complement to related experimental studies, and to develop a deeper understanding of solute-solvent interactions.

  9. Determination of partial molar volumes from free energy perturbation theory†

    Science.gov (United States)

    Vilseck, Jonah Z.; Tirado-Rives, Julian

    2016-01-01

    Partial molar volume is an important thermodynamic property that gives insights into molecular size and intermolecular interactions in solution. Theoretical frameworks for determining the partial molar volume (V°) of a solvated molecule generally apply Scaled Particle Theory or Kirkwood–Buff theory. With the current abilities to perform long molecular dynamics and Monte Carlo simulations, more direct methods are gaining popularity, such as computing V° directly as the difference in computed volume from two simulations, one with a solute present and another without. Thermodynamically, V° can also be determined as the pressure derivative of the free energy of solvation in the limit of infinite dilution. Both approaches are considered herein with the use of free energy perturbation (FEP) calculations to compute the necessary free energies of solvation at elevated pressures. Absolute and relative partial molar volumes are computed for benzene and benzene derivatives using the OPLS-AA force field. The mean unsigned error for all molecules is 2.8 cm3 mol−1. The present methodology should find use in many contexts such as the development and testing of force fields for use in computer simulations of organic and biomolecular systems, as a complement to related experimental studies, and to develop a deeper understanding of solute–solvent interactions. PMID:25589343

  10. Tandem mass spectrometry at low kinetic energy

    International Nuclear Information System (INIS)

    Cooks, R.G.; Hand, O.W.

    1987-01-01

    Recent progress in mass spectrometry, as applied to molecular analysis, is reviewed with emphasis on tandem mass spectrometry. Tandem instruments use multiple analyzers (sector magnets, quadrupole mass filters and time-of-flight devices) to select particular molecules in ionic form, react them in the gas-phase and then record the mass, momenta or kinetic energies of their products. The capabilities of tandem mass spectrometry for identification of individual molecules or particular classes of compounds in complex mixtures are illustrated. Several different types of experiments can be run using a tandem mass spectrometer; all share the feature of sifting the molecular mixture being analyzed on the basis of chemical properties expressed in terms of ionic mass, kinetic energy or charge state. Applications of mass spectrometry to biological problems often depend upon desorption methods of ionization in which samples are bombarded with particle beams. Evaporation of preformed charged species from the condensed phase into the vacuum is a particularly effective method of ionization. It is suggested that the use of accelerator mass spectrometers be extended to include problems of molecular analysis. In such experiments, low energy tandem mass spectrometry conducted in the eV or keV range of energies, would be followed by further characterization of the production ion beam using high selective MeV collision processes

  11. Excitation energies from Görling-Levy perturbation theory along the range-separated adiabatic connection

    Science.gov (United States)

    Rebolini, Elisa; Teale, Andrew M.; Helgaker, Trygve; Savin, Andreas; Toulouse, Julien

    2018-06-01

    A Görling-Levy (GL)-based perturbation theory along the range-separated adiabatic connection is assessed for the calculation of electronic excitation energies. In comparison with the Rayleigh-Schrödinger (RS)-based perturbation theory this GL-based perturbation theory keeps the ground-state density constant at each order and thus gives the correct ionisation energy at each order. Excitation energies up to first order in the perturbation have been calculated numerically for the helium and beryllium atoms and the hydrogen molecule without introducing any density-functional approximations. In comparison with the RS-based perturbation theory, the present GL-based perturbation theory gives much more accurate excitation energies for Rydberg states but similar excitation energies for valence states.

  12. Kinetic energy recovery systems in motor vehicles

    Science.gov (United States)

    Śliwiński, C.

    2016-09-01

    The article draws attention to the increasing environmental pollution caused by the development of vehicle transport and motorization. Different types of design solutions used in vehicles for the reduction of fuel consumption, and thereby emission of toxic gasses into the atmosphere, were specified. Historical design solutions concerning energy recovery devices in mechanical vehicles which used flywheels to accumulate kinetic energy were shown. Developmental tendencies in the area of vehicle manufacturing in the form of hybrid electric and electric devices were discussed. Furthermore, designs of energy recovery devices with electrical energy storage from the vehicle braking and shock absorbing systems were presented. A mechanical energy storing device using a flywheel operating under vacuum was presented, as were advantages and disadvantages of both systems, the limitations they impose on individual constructions and safety issues. The paper also discusses a design concept of an energy recovery device in mechanical vehicles which uses torsion springs as the main components of energy accumulation during braking. The desirability of a cooperation of both the mechanical- and electrical energy recovery devices was indicated.

  13. Redistribution of Kinetic Energy in Turbulent Flows

    Directory of Open Access Journals (Sweden)

    Alain Pumir

    2014-10-01

    Full Text Available In statistically homogeneous turbulent flows, pressure forces provide the main mechanism to redistribute kinetic energy among fluid elements, without net contribution to the overall energy budget. This holds true in both two-dimensional (2D and three-dimensional (3D flows, which show fundamentally different physics. As we demonstrate here, pressure forces act on fluid elements very differently in these two cases. We find in numerical simulations that in 3D pressure forces strongly accelerate the fastest fluid elements, and that in 2D this effect is absent. In 3D turbulence, our findings put forward a mechanism for a possibly singular buildup of energy, and thus may shed new light on the smoothness problem of the solution of the Navier-Stokes equation in 3D.

  14. Imperfect Dark Energy from Kinetic Gravity Braiding

    CERN Document Server

    Deffayet, Cedric; Sawicki, Ignacy; Vikman, Alexander

    2010-01-01

    We introduce a large class of scalar-tensor models with interactions containing the second derivatives of the scalar field but not leading to additional degrees of freedom. These models exhibit peculiar features, such as an essential mixing of scalar and tensor kinetic terms, which we have named kinetic braiding. This braiding causes the scalar stress tensor to deviate from the perfect-fluid form. Cosmology in these models possesses a rich phenomenology, even in the limit where the scalar is an exact Goldstone boson. Generically, there are attractor solutions where the scalar monitors the behaviour of external matter. Because of the kinetic braiding, the position of the attractor depends both on the form of the Lagrangian and on the external energy density. The late-time asymptotic of these cosmologies is a de Sitter state. The scalar can exhibit phantom behaviour and is able to cross the phantom divide with neither ghosts nor gradient instabilities. These features provide a new class of models for Dark Energ...

  15. Kinetic energy factors in evaluation of athletes.

    Science.gov (United States)

    Jones, Jason N; Priest, Joe W; Marble, Daniel K

    2008-11-01

    It is established that speed and agility are critical attributes of sports performance. Performance timing of runs during agility course testing can be used to estimate acceleration, speed, or quickness. The authors of this research effort also report the energy of motion, or kinetic energy of the athlete, which considers not only the speed but also the mass of the athlete. An electronic timer was used to determine total run times as well as split performance times during a new 60-yd "run-shuttle" test. This newly designed agility test takes advantage of the technological capabilities of a laser timing device. Separate times for each of four run segments were recorded and converted to average speeds (m x s(-1)) as well as a quantitative factor of merit defined as the "K-factor." The purpose of this study was to describe the effects of training and to compare athletes and teams using measures of time, speed, and kinetic energy. Results of the analysis of total time on the 60-yd run-shuttle provided evidence of the effectiveness of the training programs. Split times of segments within the 60-yd run-shuttle provided information not available from conventional agility tests. Average speeds and K-factors identified discriminating characteristics of otherwise similar athletes. Our findings support the conclusion that training programs and athletic performance may be evaluated using the 60-yd run-shuttle with laser timer system. Coaches and trainers may find practical application of this technology for American football, soccer, basketball, baseball/softball, track and field, and field hockey.

  16. Nonlocal kinetic energy functionals by functional integration

    Science.gov (United States)

    Mi, Wenhui; Genova, Alessandro; Pavanello, Michele

    2018-05-01

    Since the seminal studies of Thomas and Fermi, researchers in the Density-Functional Theory (DFT) community are searching for accurate electron density functionals. Arguably, the toughest functional to approximate is the noninteracting kinetic energy, Ts[ρ], the subject of this work. The typical paradigm is to first approximate the energy functional and then take its functional derivative, δ/Ts[ρ ] δ ρ (r ) , yielding a potential that can be used in orbital-free DFT or subsystem DFT simulations. Here, this paradigm is challenged by constructing the potential from the second-functional derivative via functional integration. A new nonlocal functional for Ts[ρ] is prescribed [which we dub Mi-Genova-Pavanello (MGP)] having a density independent kernel. MGP is constructed to satisfy three exact conditions: (1) a nonzero "Kinetic electron" arising from a nonzero exchange hole; (2) the second functional derivative must reduce to the inverse Lindhard function in the limit of homogenous densities; (3) the potential is derived from functional integration of the second functional derivative. Pilot calculations show that MGP is capable of reproducing accurate equilibrium volumes, bulk moduli, total energy, and electron densities for metallic (body-centered cubic, face-centered cubic) and semiconducting (crystal diamond) phases of silicon as well as of III-V semiconductors. The MGP functional is found to be numerically stable typically reaching self-consistency within 12 iterations of a truncated Newton minimization algorithm. MGP's computational cost and memory requirements are low and comparable to the Wang-Teter nonlocal functional or any generalized gradient approximation functional.

  17. Comparing energy loss and pperpendicular -broadening in perturbative QCD with strong coupling N=4 SYM theory

    International Nuclear Information System (INIS)

    Dominguez, Fabio; Marquet, C.; Mueller, A.H.; Wu Bin; Xiao, Bo-Wen

    2008-01-01

    We compare medium induced energy loss and p perpendicular -broadening in perturbative QCD with that of the trailing string picture of SYM theory. We consider finite and infinite extent matter as well as relativistic heavy quarks which correspond to those being produced in the medium or external to it. When expressed in terms of the appropriate saturation momentum, we find identical parametric forms for energy loss in perturbative QCD and SYM theory. We find simple correspondences between p perpendicular -broadening in QCD and in SYM theory although p perpendicular -broadening is radiation dominated in SYM theory and multiple scattering dominated in perturbative QCD

  18. Kinetic energy dissipation in heavy-ion collisions

    International Nuclear Information System (INIS)

    Fedotov, S.I.; Jolos, R.V.; Kartavenko, V.G.

    1979-01-01

    Kinetic energy dissipation mechanism is considered in deep inelastic heavy-ion collisions. It is shown that the significant part of the kinetic energy loss can be explained by the excitation of the nuclear matter multipole vibrations. The main contribution of the energy dissipation is given by the time dependent heavy-ion interaction potential renormalized due to the nuclear excitations, rather than by the velocity proportional frictional forces

  19. Evolution of perturbations in distinct classes of canonical scalar field models of dark energy

    International Nuclear Information System (INIS)

    Jassal, H. K.

    2010-01-01

    Dark energy must cluster in order to be consistent with the equivalence principle. The background evolution can be effectively modeled by either a scalar field or by a barotropic fluid. The fluid model can be used to emulate perturbations in a scalar field model of dark energy, though this model breaks down at large scales. In this paper we study evolution of dark energy perturbations in canonical scalar field models: the classes of thawing and freezing models. The dark energy equation of state evolves differently in these classes. In freezing models, the equation of state deviates from that of a cosmological constant at early times. For thawing models, the dark energy equation of state remains near that of the cosmological constant at early times and begins to deviate from it only at late times. Since the dark energy equation of state evolves differently in these classes, the dark energy perturbations too evolve differently. In freezing models, since the equation of state deviates from that of a cosmological constant at early times, there is a significant difference in evolution of matter perturbations from those in the cosmological constant model. In comparison, matter perturbations in thawing models differ from the cosmological constant only at late times. This difference provides an additional handle to distinguish between these classes of models and this difference should manifest itself in the integrated Sachs-Wolfe effect.

  20. Exploring the ab initio/classical free energy perturbation method: The hydration free energy of water

    International Nuclear Information System (INIS)

    Sakane, Shinichi; Yezdimer, Eric M.; Liu, Wenbin; Barriocanal, Jose A.; Doren, Douglas J.; Wood, Robert H.

    2000-01-01

    The ab initio/classical free energy perturbation (ABC-FEP) method proposed previously by Wood et al. [J. Chem. Phys. 110, 1329 (1999)] uses classical simulations to calculate solvation free energies within an empirical potential model, then applies free energy perturbation theory to determine the effect of changing the empirical solute-solvent interactions to corresponding interactions calculated from ab initio methods. This approach allows accurate calculation of solvation free energies using an atomistic description of the solvent and solute, with interactions calculated from first principles. Results can be obtained at a feasible computational cost without making use of approximations such as a continuum solvent or an empirical cavity formation energy. As such, the method can be used far from ambient conditions, where the empirical parameters needed for approximate theories of solvation may not be available. The sources of error in the ABC-FEP method are the approximations in the ab initio method, the finite sample of configurations, and the classical solvent model. This article explores the accuracy of various approximations used in the ABC-FEP method by comparing to the experimentally well-known free energy of hydration of water at two state points (ambient conditions, and 973.15 K and 600 kg/m3). The TIP4P-FQ model [J. Chem. Phys. 101, 6141 (1994)] is found to be a reliable solvent model for use with this method, even at supercritical conditions. Results depend strongly on the ab initio method used: a gradient-corrected density functional theory is not adequate, but a localized MP2 method yields excellent agreement with experiment. Computational costs are reduced by using a cluster approximation, in which ab initio pair interaction energies are calculated between the solute and up to 60 solvent molecules, while multi-body interactions are calculated with only a small cluster (5 to 12 solvent molecules). Sampling errors for the ab initio contribution to

  1. Variation of kinetic energy release with temperature and electron energy for unimolecular ionic transitions

    International Nuclear Information System (INIS)

    Rabia, M.A.; Fahmy, M.A.

    1992-01-01

    The kinetic energy released during seven unimolecular ionic transitions, generated from benzyl alcohol and benzyl amine have been studied as a function of ion source temperature and ionizing electron energy. Only, the kinetic energy released during H CN elimination from fragment [C 7 H 8 N]+ ion of benzyl amine displays a temperature dependence. For only two transitions, generated from benzyl alcohol, the kinetic energy released show a significant ionizing electron energy dependence. These results may reveal the role of the internal energy of reacting ions in producing the kinetic energy released some transitions produced from benzyl alcohol

  2. Quasiparticle recombination time in superconducting lead and the quasiparticle nonequilibrium energy distribution of optically perturbed tin superconductors

    International Nuclear Information System (INIS)

    Jaworski, F.B.

    1978-01-01

    The effective quasiparticle recombination time in Pb superconductors was experimentally measured by optically perturbing Pb-oxide-Pb tunnel junctions. Analysis by carefully studying the optically modulated energy gap as a function of temperature determined the effective recombination time to be 2.06 x 10 - 10 T - 1/2e/sup δ//sup kT/ +- 30%. Careful studies on optically perturbed Sn-oxide-Sn tunnel junctions provide information on the quasiparticle nonequilibrium energy distribution function. Initial data compared closer with a modified heating model describing the photo-excited quasi particles rather than with an effective chemical potential model. However, an analysis of the IV characteristic of voltage-biased Sn junctions numerically unfolded the exact energy distribution from an integral equation. The results compare favorably to the theory of Chang and Scalapino, who calculate from the coupled Boltzmann kinetic equations the phonon and quasiparticle energy distributions. Lastly, a brief study describes Inelastic Electron Tunneling Spectroscopy as applied to the problem of the identification of altered DNA bases. The technique demonstrates an exciting potential application of physics to a contemporary problem in molecular biology

  3. High energy asymptotics of perturbative multi-color QCD

    International Nuclear Information System (INIS)

    Lipatov, L.N.

    1993-01-01

    The structure functions of deep-inelastic scattering at small-x satisfy two different equations in the leading logarithmic approximation (LLA). The first one -- the GLAP equation, describes the Q 2 -evolution of partonic distributions h i (x). The second one -- the BFKL, equation determines the x-dependence of parton densities H i (x, k perpendicular ). Analogous equations for matrix elements of higher twist operators were constructed in Refs. 3 and 4. Here the author discusses the possibility of finding an exact solution for multi-gluon compound states in LLA for the color group SU(N), in the limit N → ∞. The contributions of diagrams with many reggeized gluons are important for the unitarization of the perturbative Pomeron in QCD. It is shown that the Bethe-Salpeter equations for compound states of many reggeized gluons are conformally invariant in the two-dimensional impact parameter space. Their solutions can be written in holomorphically factorized form and there is a differential operator commuting with the holomorphic part of the corresponding Hamiltonian

  4. Perturbation of parabolic kinetics resulting from the accumulation of stress in protective oxide layers

    International Nuclear Information System (INIS)

    Evans, H.E.; Norfolk, D.J.; Swan, T.

    1978-01-01

    A frequent observation in metal oxidation is the development of subparabolic kinetics, variously described as cubic or quartic. Although a number of detailed mechanisms have been proposed to account for this effect, none seem generally applicable. A model is presented of the oxidation process which is divorced from such restrictions. It is argued that deviations from parabolic behavior occur as a result of the concurrent development of stresses within the oxide. It is shown that the presence of stress fields can influence significantly the rate of transport of vacancy defects within the oxide such that tensile stresses produce positive deviations and compressive stresses, negative deviations from parabolic behavior. The model is applied in detail to Zircaloy-2 oxidation at 773 0 K. It is predicted that the kinetics should be insensitive to the oxygen potential of the environment and this has been confirmed by previous experimental work. 31 refs

  5. Fisher information, kinetic energy and uncertainty relation inequalities

    International Nuclear Information System (INIS)

    Luo Shunlong

    2002-01-01

    By interpolating between Fisher information and mechanical kinetic energy, we introduce a general notion of kinetic energy with respect to a parameter of Schroedinger wavefunctions from a statistical inference perspective. Kinetic energy is the sum of Fisher information and an integral of a parametrized analogue of quantum mechanical current density related to phase. A family of integral inequalities concerning kinetic energy and moments are established, among which the Cramer-Rao inequality and the Weyl-Heisenberg inequality, are special cases. In particular, the integral inequalities involving the negative order moments are relevant to the study of electron systems. Moreover, by specifying the parameter to a scale, we obtain a family of inequalities of uncertainty relation type which incorporate the position and momentum observables symmetrically in a single quantity. (author)

  6. The eddy kinetic energy budget in the Red Sea

    KAUST Repository

    Zhan, Peng; Subramanian, Aneesh C.; Yao, Fengchao; Kartadikaria, Aditya R.; Guo, Daquan; Hoteit, Ibrahim

    2016-01-01

    The budget of eddy kinetic energy (EKE) in the Red Sea, including the sources, redistributions and sink, is examined using a high-resolution eddy-resolving ocean circulation model. A pronounced seasonally varying EKE is identified, with its maximum

  7. Determination of low-energy constants of Wilson chiral perturbation theory

    International Nuclear Information System (INIS)

    Herdoiza, Gregorio; Univ. Autonoma de Madrid, Contoblanco; Univ. Autonoma de Madrid; Jansen, Karl; Univ. Cyprus, Nicosia; Michael, Chris; Ottnad, Konstantin; Urbach, Carsten; Univ. Bonn

    2013-03-01

    By matching Wilson twisted mass lattice QCD determinations of pseudoscalar meson masses to Wilson Chiral Perturbation Theory we determine the low-energy constants W 6 ' , W 8 ' and their linear combination c 2 . We explore the dependence of these low-energy constants on the choice of the lattice action and on the number of dynamical flavours.

  8. Kinetic k-essence ghost dark energy model

    International Nuclear Information System (INIS)

    Rozas-Fernández, Alberto

    2012-01-01

    A ghost dark energy model has been recently put forward to explain the current accelerated expansion of the Universe. In this model, the energy density of ghost dark energy, which comes from the Veneziano ghost of QCD, is proportional to the Hubble parameter, ρ D =αH. Here α is a constant of order Λ QCD 3 where Λ QCD ∼100 MeV is the QCD mass scale. We consider a connection between ghost dark energy with/without interaction between the components of the dark sector and the kinetic k-essence field. It is shown that the cosmological evolution of the ghost dark energy dominated Universe can be completely described a kinetic k-essence scalar field. We reconstruct the kinetic k-essence function F(X) in a flat Friedmann-Robertson-Walker Universe according to the evolution of ghost dark energy density.

  9. Solution of Point Reactor Neutron Kinetics Equations with Temperature Feedback by Singularly Perturbed Method

    Directory of Open Access Journals (Sweden)

    Wenzhen Chen

    2013-01-01

    Full Text Available The singularly perturbed method (SPM is proposed to obtain the analytical solution for the delayed supercritical process of nuclear reactor with temperature feedback and small step reactivity inserted. The relation between the reactivity and time is derived. Also, the neutron density (or power and the average density of delayed neutron precursors as the function of reactivity are presented. The variations of neutron density (or power and temperature with time are calculated and plotted and compared with those by accurate solution and other analytical methods. It is shown that the results by the SPM are valid and accurate in the large range and the SPM is simpler than those in the previous literature.

  10. Perturbation approach to the self-energy of non-S hydrogenic states

    International Nuclear Information System (INIS)

    Le Bigot, Eric-Olivier; Jentschura, Ulrich D.; Mohr, Peter J.; Indelicato, Paul; Soff, Gerhard

    2003-01-01

    We present results on the self-energy correction to the energy levels of hydrogen and hydrogenlike ions. The self-energy represents the largest QED correction to the relativistic (Dirac-Coulomb) energy of a bound electron. We focus on the perturbation expansion of the self-energy of non-S states, and provide estimates of the so-called A 60 perturbation coefficient, which can be viewed as a relativistic Bethe logarithm. Precise values of A 60 are given for many P, D, F, and G states, while estimates are given for other states. These results can be used in high-precision spectroscopy experiments in hydrogen and hydrogenlike ions. They yield the best available estimate of the self-energy correction of many atomic states

  11. Kinetic Storage as an Energy Management System

    International Nuclear Information System (INIS)

    Garcia-Tabares, L.

    2007-01-01

    The possibility of storing energy is increasingly important and necessary. The reason is that storage modifies the basic equation of the energy production balance which states that the power produced should equal the power consumed. When there is a storage device in the grid, this equation is modified such that, in the new balance, the energy produced should equal the algebraic sum of the energy consumed and the energy stored (positive in storage phase and negative when released). This means that the generation profile can be uncoupled from the consumption profile, with the resulting improvement of efficiency. Even small-sized storage systems can be very effective. (Author) 10 refs

  12. First lattice calculation of the B-meson binding and kinetic energies

    CERN Document Server

    Crisafulli, M; Martinelli, G; Sachrajda, Christopher T C

    1995-01-01

    We present the first lattice calculation of the B-meson binding energy \\labar and of the kinetic energy -\\lambda_1/2 m_Q of the heavy-quark inside the pseudoscalar B-meson. This calculation has required the non-perturbative subtraction of the power divergences present in matrix elements of the Lagrangian operator \\bar h D_4 h and of the kinetic energy operator \\bar h \\vec D^2 h. The non-perturbative renormalisation of the relevant operators has been implemented by imposing suitable renormalisation conditions on quark matrix elements, in the Landau gauge. Our numerical results have been obtained from several independent numerical simulations at \\beta=6.0 and 6.2, and using, for the meson correlators, the results obtained by the APE group at the same values of \\beta. Our best estimate, obtained by combining results at different values of \\beta, is \\labar =190 \\err{50}{30} MeV. For the \\overline{MS} running mass, we obtain \\overline {m}_b(\\overline {m}_b) =4.17 \\pm 0.06 GeV, in reasonable agreement with previous...

  13. Renormalizing the kinetic energy operator in elementary quantum mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Coutinho, F A B [Faculdade de Medicina, Universidade de Sao Paulo e LIM 01-HCFMUSP, 05405-000 Sao Paulo (Brazil); Amaku, M [Faculdade de Medicina Veterinaria e Zootecnia, Universidade de Sao Paulo, 05508-970 Sao Paulo (Brazil)], E-mail: coutinho@dim.fm.usp.br

    2009-09-15

    In this paper, we consider solutions to the three-dimensional Schroedinger equation of the form {psi}(r) = u(r)/r, where u(0) {ne} 0. The expectation value of the kinetic energy operator for such wavefunctions diverges. We show that it is possible to introduce a potential energy with an expectation value that also diverges, exactly cancelling the kinetic energy divergence. This renormalization procedure produces a self-adjoint Hamiltonian. We solve some problems with this new Hamiltonian to illustrate its usefulness.

  14. Renormalizing the kinetic energy operator in elementary quantum mechanics

    International Nuclear Information System (INIS)

    Coutinho, F A B; Amaku, M

    2009-01-01

    In this paper, we consider solutions to the three-dimensional Schroedinger equation of the form ψ(r) = u(r)/r, where u(0) ≠ 0. The expectation value of the kinetic energy operator for such wavefunctions diverges. We show that it is possible to introduce a potential energy with an expectation value that also diverges, exactly cancelling the kinetic energy divergence. This renormalization procedure produces a self-adjoint Hamiltonian. We solve some problems with this new Hamiltonian to illustrate its usefulness.

  15. Renormalizing the Kinetic Energy Operator in Elementary Quantum Mechanics

    Science.gov (United States)

    Coutinho, F. A. B.; Amaku, M.

    2009-01-01

    In this paper, we consider solutions to the three-dimensional Schrodinger equation of the form [psi](r) = u(r)/r, where u(0) [is not equal to] 0. The expectation value of the kinetic energy operator for such wavefunctions diverges. We show that it is possible to introduce a potential energy with an expectation value that also diverges, exactly…

  16. Exploring the Invisible Renormalon Renormalization of the Heavy-Quark Kinetic Energy

    CERN Document Server

    Neubert, M

    1997-01-01

    Using the virial theorem of the heavy-quark effective theory, we show that the mixing of the operator for the heavy-quark kinetic energy with the identity operator is forbidden at the one-loop order by Lorentz invariance. This explains why such a mixing was not observed in several one-loop calculations using regularization schemes with a Lorentz-invariant UV regulator, and why no UV renormalon singularity was found in the matrix elements of the kinetic operator in the bubble approximation (the ``invisible renormalon''). On the other hand, we show that the mixing is not protected in general by any symmetry, and it indeed occurs at the two-loop order. This implies that the parameter $\\lambda_1^H$ of the heavy-quark effective theory is not directly a physical quantity, but requires a non-perturbative subtraction.

  17. Determination of the QCD Λ-parameter and the accuracy of perturbation theory at high energies

    International Nuclear Information System (INIS)

    Dalla Brida, Mattia; Fritzsch, Patrick; Korzec, Tomasz; Ramos, Alberto; Sint, Stefan; Sommer, Rainer; Humboldt-Universitaet, Berlin

    2016-04-01

    We discuss the determination of the strong coupling α_M_S(m_Z) or equivalently the QCD Λ-parameter. Its determination requires the use of perturbation theory in α_s(μ) in some scheme, s, and at some energy scale μ. The higher the scale μ the more accurate perturbation theory becomes, owing to asymptotic freedom. As one step in our computation of the Λ-parameter in three-flavor QCD, we perform lattice computations in a scheme which allows us to non-perturbatively reach very high energies, corresponding to α_s=0.1 and below. We find that (continuum) perturbation theory is very accurate there, yielding a three percent error in the Λ-parameter, while data around α_s∼0.2 is clearly insufficient to quote such a precision. It is important to realize that these findings are expected to be generic, as our scheme has advantageous properties regarding the applicability of perturbation theory.

  18. Determination of the QCD Λ-parameter and the accuracy of perturbation theory at high energies

    Energy Technology Data Exchange (ETDEWEB)

    Dalla Brida, Mattia [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Fritzsch, Patrick [Univ. Autonoma de Madrid (Spain). Inst. de Fisica Teorica UAM/CSIC; Korzec, Tomasz [Wuppertal Univ. (Germany). Dept. of Physics; Ramos, Alberto [CERN - European Organization for Nuclear Research, Geneva (Switzerland). Theory Div.; Sint, Stefan [Trinity College Dublin (Ireland). School of Mathematics; Sommer, Rainer [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; Collaboration: ALPHA Collaboration

    2016-04-15

    We discuss the determination of the strong coupling α{sub MS}(m{sub Z}) or equivalently the QCD Λ-parameter. Its determination requires the use of perturbation theory in α{sub s}(μ) in some scheme, s, and at some energy scale μ. The higher the scale μ the more accurate perturbation theory becomes, owing to asymptotic freedom. As one step in our computation of the Λ-parameter in three-flavor QCD, we perform lattice computations in a scheme which allows us to non-perturbatively reach very high energies, corresponding to α{sub s}=0.1 and below. We find that (continuum) perturbation theory is very accurate there, yielding a three percent error in the Λ-parameter, while data around α{sub s}∼0.2 is clearly insufficient to quote such a precision. It is important to realize that these findings are expected to be generic, as our scheme has advantageous properties regarding the applicability of perturbation theory.

  19. Consistent scalar and tensor perturbation power spectra in single fluid matter bounce with dark energy era

    Science.gov (United States)

    Bacalhau, Anna Paula; Pinto-Neto, Nelson; Vitenti, Sandro Dias Pinto

    2018-04-01

    We investigate cosmological scenarios containing one canonical scalar field with an exponential potential in the context of bouncing models, in which the bounce happens due to quantum cosmological effects. The only possible bouncing solutions in this scenario (discarding an infinitely fine-tuned exception) must have one and only one dark energy phase, occurring either in the contracting era or in the expanding era. Hence, these bounce solutions are necessarily asymmetric. Naturally, the more convenient solution is the one in which the dark energy phase happens in the expanding era, in order to be a possible explanation for the current accelerated expansion indicated by cosmological observations. In this case, one has the picture of a Universe undergoing a classical dust contraction from very large scales, the initial repeller of the model, moving to a classical stiff-matter contraction near the singularity, which is avoided due to the quantum bounce. The Universe is then launched to a dark energy era, after passing through radiation- and dust-dominated phases, finally returning to the dust expanding phase, the final attractor of the model. We calculate the spectral indices and amplitudes of scalar and tensor perturbations numerically, considering the whole history of the model, including the bounce phase itself, without making any approximation nor using any matching condition on the perturbations. As the background model is necessarily dust dominated in the far past, the usual adiabatic vacuum initial conditions can be easily imposed in this era. Hence, this is a cosmological model in which the presence of dark energy behavior in the Universe does not turn the usual vacuum initial conditions prescription for cosmological perturbation in bouncing models problematic. Scalar and tensor perturbations end up being almost scale invariant, as expected. The background parameters can be adjusted, without fine-tunings, to yield the observed amplitude for scalar

  20. Energies and bounds from perturbative approximations to the Bloch-Horowitz effective Hamiltonian

    International Nuclear Information System (INIS)

    Darema-Rogers, F.; Vincent, C.M.

    1978-01-01

    Bloch-Horowitz perturbation theory is applied to the calculation of approximate energies and model-space eigenvectors, for the solvable large-matrix Hamiltonian H used by Pittel, Vincent, and Vergados. Two types of upper and lower bounds to the energies are discussed: moment-theory bounds, obtained by applying moment theory to the terms of perturbation theory, and norm bounds, derived from the expectation E-bar and variance sigma 2 of H with respect to an eigenvector approximated by nth order perturbation theory (n < or = 6). It is shown that lower bounds cannot be constructed unless some fourth-order quantity is known. The upper bounds are generally stricter than the lower bounds. All of the bounds apply even when back-door intruder states cause perturbation theory to diverge; but they lose their rigor and become ''quasibounds'' when there are physical intruders. The moment-theory and norm lower quasibounds always require estimation of a parameter. For the solvable Hamiltonians, it is shown that this can be done quite reliably, and that the resulting quasibounds are tight enough to have some practical utility. The energy-independent effective interaction V is constructed and its errors are displayed and discussed. Finally, a certain [1/2] pseudo-Pade approximant is empirically shown to give energies with a mean absolute error of less than 0.3 MeV in all cases

  1. Statistical mechanical perturbation theory of solid-vapor interfacial free energy

    NARCIS (Netherlands)

    Kalikmanov, Vitalij Iosifovitsj; Hagmeijer, Rob; Venner, Cornelis H.

    2017-01-01

    The solid–vapor interfacial free energy γsv plays an important role in a number of physical phenomena, such as adsorption, wetting, and adhesion. We propose a closed form expression for the orientation averaged value of this quantity using a statistical mechanical perturbation approach developed in

  2. Statistical Mechanical Perturbation Theory of Solid−Vapor Interfacial Free Energy

    NARCIS (Netherlands)

    Kalikmanov, V.I.; Hagmeijer, R.; Venner, C.H.

    2017-01-01

    The solid–vapor interfacial free energy γsv plays an important role in a number of physical phenomena, such as adsorption, wetting, and adhesion. We propose a closed form expression for the orientation averaged value of this quantity using a statistical mechanical perturbation approach developed in

  3. Pairing-induced kinetic energy lowering in doped antiferromagnets

    International Nuclear Information System (INIS)

    Wrobel, P; Eder, R; Fulde, P

    2003-01-01

    We analyse lowering of the kinetic energy in doped antiferromagnets at the transition to the superconducting state. Measurements of optical conductivity indicate that such unconventional behaviour takes place in underdoped Bi-2212. We argue that the definition of the operator representing the kinetic energy is determined by experimental conditions. The thermodynamic average of that operator is related to the integrated spectral weight of the optical conductivity and thus depends on the cut-off frequency limiting that integral. If the upper limit of the integral lies below the charge transfer gap the spectral weight represents the average of the hopping term in the space restricted to the energy range below the gap. We show that the kinetic energy is indeed lowered at the superconducting transition in the t-J model (tJM), which is an effective model defined in the restricted space. That result is in agreement with experimental observations and may be attributed to the formation of spin polarons and the change of roles which are played by the kinetic and the potential energy in the tJM and in some effective model for spin polarons. The total spectral weight represents the kinetic energy in a model defined in a broader space if the upper limit in the integral of the optical conductivity is set above the gap. We demonstrate that the kinetic energy in the Hubbard model is also lowered in the superconducting state. That result does not agree with experimental observations, indicating that the spectral weight is conserved for all temperatures if the upper limit of the integral is set above the charge transfer gap. This discrepancy suggests that a single band model is not capable of describing in some respects the physics of excitations across the gap

  4. Kinetic Energy of a Trapped Fermi Gas at Finite Temperature

    Science.gov (United States)

    Grela, Jacek; Majumdar, Satya N.; Schehr, Grégory

    2017-09-01

    We study the statistics of the kinetic (or, equivalently, potential) energy for N noninteracting fermions in a 1 d harmonic trap of frequency ω at finite temperature T . Remarkably, we find an exact solution for the full distribution of the kinetic energy, at any temperature T and for any N , using a nontrivial mapping to an integrable Calogero-Moser-Sutherland model. As a function of temperature T and for large N , we identify (i) a quantum regime, for T ˜ℏω , where quantum fluctuations dominate and (ii) a thermal regime, for T ˜N ℏω , governed by thermal fluctuations. We show how the mean and the variance as well as the large deviation function associated with the distribution of the kinetic energy cross over from the quantum to the thermal regime as T increases.

  5. Reaction wheels for kinetic energy storage

    Science.gov (United States)

    Studer, P. A.

    1984-11-01

    In contrast to all existing reaction wheel implementations, an order of magnitude increase in speed can be obtained efficiently if power to the actuators can be recovered. This allows a combined attitude control-energy storage system to be developed with structure mounted reaction wheels. The feasibility of combining reaction wheels with energy storage wwheels is demonstrated. The power required for control torques is a function of wheel speed but this energy is not dissipated; it is stored in the wheel. The I(2)R loss resulting from a given torque is shown to be constant, independent of the design speed of the motor. What remains, in order to efficiently use high speed wheels (essential for energy storage) for control purposes, is to reduce rotational losses to acceptable levels. Progress was made in permanent magnet motor design for high speed operation. Variable field motors offer more control flexibility and efficiency over a broader speed range.

  6. Kinetic energy recovery and power management for hybrid electric vehicles

    OpenAIRE

    Suntharalingam, P

    2011-01-01

    The major contribution of the work presented in this thesis is a thorough investigation of the constraints on regenerative braking and kinetic energy recovery enhancement for electric/hybrid electric vehicles during braking. Regenerative braking systems provide an opportunity to recycle the braking energy, which is otherwise dissipated as heat in the brake pads. However, braking energy harnessing is a relatively new concept in the automotive sector which still requires further research and de...

  7. Determination of low-energy constants of Wilson chiral perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Herdoiza, Gregorio [Mainz Univ. (Germany). Inst fuer Kernphysik, PRISMA Cluster of Excellence; Univ. Autonoma de Madrid, Contoblanco (Spain). Dept. de Fisica Teorica; Univ. Autonoma de Madrid (Spain). Inst. de Fisica Teorica UAM/CSIC; Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Univ. Cyprus, Nicosia (Cyprus). Dept. of Physics; Michael, Chris [Liverpool Univ. (United Kingdom). Theoretical Physics Division; Ottnad, Konstantin; Urbach, Carsten [Bonn Univ. (Germany). Helmholtz-Institut fuer Strahlen und Kernphysik; Univ. Bonn (Germany). Bethe Center for Theoretical Physics; Collaboration: European Twisted Mass Collaboration

    2013-03-15

    By matching Wilson twisted mass lattice QCD determinations of pseudoscalar meson masses to Wilson Chiral Perturbation Theory we determine the low-energy constants W{sub 6}{sup '}, W{sub 8}{sup '} and their linear combination c{sub 2}. We explore the dependence of these low-energy constants on the choice of the lattice action and on the number of dynamical flavours.

  8. Energy correlations in perturbative quantum chromodynamics: a conjecture for all orders

    International Nuclear Information System (INIS)

    Basham, C.L.; Brown, L.S.; Ellis, S.D.; Love, S.T.

    1979-01-01

    The hadronic energy produced in high-energy electron-positron annihilation has an angular correlation which can be computed by the asymptotically free perturbation theory of quantum chromodynamics. In finite orders, the correlation is not well behaved as the detectors become anti-collinear. The leading behaviour has been calculated to fourth order and an exponential expression for the sum of all orders is discussed. This expression obeys a non-trivial sum rule which lends support for its validity. (Auth.)

  9. Kinetic-energy functionals studied by surface calculations

    DEFF Research Database (Denmark)

    Vitos, Levente; Skriver, Hans Lomholt; Kollár, J.

    1998-01-01

    The self-consistent jellium model of metal surfaces is used to study the accuracy of a number of semilocal kinetic-energy functionals for independent particles. It is shown that the poor accuracy exhibited by the gradient expansion approximation and most of the semiempirical functionals in the lo...... density, high gradient limit may be subtantially improved by including locally a von Weizsacker term. Based on this, we propose a simple one-parameter Pade's approximation, which reproduces the exact Kohn-Sham surface kinetic energy over the entire range of metallic densities....

  10. Effect of perturbation of convective energy transport on the luminosity and radius of the sun

    International Nuclear Information System (INIS)

    Endal, A.S.; Twigg, L.W.

    1982-01-01

    The response of solar models to perturbations of the efficiency of convective energy transport is studied for a number of cases. Such perturbations primarily affect the shallow superadiabatic layer of the convective envelope (at depths 3 km below the photosphere). Independent of the details of the perturbation scheme, the resulting change in the solar radius (ΔR/R) is always very small compared to the change in luminosity (ΔL/L). This appears to be true for any physical mechanism of solar variability which operates in the outer layers of the convection zone. Changes of the solar radius have been inferred by Dunham et al. from historical observations of solar eclipses in 1715 and 1925. Considering the constraints on concurrent luminosity changes, this type of solar variability must be indicative of changes in the solar structure at substantial depths below the superadiabatic layer of the convective envelope

  11. Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation.

    Science.gov (United States)

    Irwin, Benedict W J; Huggins, David J

    2018-05-08

    We present a general method called atom-wise free energy perturbation (AFEP), which extends a conventional molecular dynamics free energy perturbation (FEP) simulation to give the contribution to a free energy change from each atom. AFEP is derived from an expansion of the Zwanzig equation used in the exponential averaging method by defining that the system total energy can be partitioned into contributions from each atom. A partitioning method is assumed and used to group terms in the expansion to correspond to individual atoms. AFEP is applied to six example free energy changes to demonstrate the method. Firstly, the hydration free energies of methane, methanol, methylamine, methanethiol, and caffeine in water. AFEP highlights the atoms in the molecules that interact favorably or unfavorably with water. Finally AFEP is applied to the binding free energy of human immunodeficiency virus type 1 protease to lopinavir, and AFEP reveals the contribution of each atom to the binding free energy, indicating candidate areas of the molecule to improve to produce a more strongly binding inhibitor. FEP gives a single value for the free energy change and is already a very useful method. AFEP gives a free energy change for each "part" of the system being simulated, where part can mean individual atoms, chemical groups, amino acids, or larger partitions depending on what the user is trying to measure. This method should have various applications in molecular dynamics studies of physical, chemical, or biochemical phenomena, specifically in the field of computational drug discovery.

  12. Baryon chiral perturbation theory extended beyond the low-energy region.

    Science.gov (United States)

    Epelbaum, E; Gegelia, J; Meißner, Ulf-G; Yao, De-Liang

    We consider an extension of the one-nucleon sector of baryon chiral perturbation theory beyond the low-energy region. The applicability of this approach for higher energies is restricted to small scattering angles, i.e. the kinematical region, where the quark structure of hadrons cannot be resolved. The main idea is to re-arrange the low-energy effective Lagrangian according to a new power counting and to exploit the freedom of the choice of the renormalization condition for loop diagrams. We generalize the extended on-mass-shell scheme for the one-nucleon sector of baryon chiral perturbation theory by choosing a sliding scale, that is, we expand the physical amplitudes around kinematical points beyond the threshold. This requires the introduction of complex-valued renormalized coupling constants, which can be either extracted from experimental data, or calculated using the renormalization group evolution of coupling constants fixed in threshold region.

  13. Baryon chiral perturbation theory extended beyond the low-energy region

    International Nuclear Information System (INIS)

    Epelbaum, E.; Gegelia, J.; Meissner, Ulf G.; Yao, De-Liang

    2015-01-01

    We consider an extension of the one-nucleon sector of baryon chiral perturbation theory beyond the low-energy region. The applicability of this approach for higher energies is restricted to small scattering angles, i.e. the kinematical region, where the quark structure of hadrons cannot be resolved. The main idea is to re-arrange the low-energy effective Lagrangian according to a new power counting and to exploit the freedom of the choice of the renormalization condition for loop diagrams. We generalize the extended on-mass-shell scheme for the one-nucleon sector of baryon chiral perturbation theory by choosing a sliding scale, that is, we expand the physical amplitudes around kinematical points beyond the threshold. This requires the introduction of complex-valued renormalized coupling constants, which can be either extracted from experimental data, or calculated using the renormalization group evolution of coupling constants fixed in threshold region. (orig.)

  14. Thermal oxidative degradation kinetics of agricultural residues using distributed activation energy model and global kinetic model.

    Science.gov (United States)

    Ren, Xiu'e; Chen, Jianbiao; Li, Gang; Wang, Yanhong; Lang, Xuemei; Fan, Shuanshi

    2018-08-01

    The study concerned the thermal oxidative degradation kinetics of agricultural residues, peanut shell (PS) and sunflower shell (SS). The thermal behaviors were evaluated via thermogravimetric analysis and the kinetic parameters were determined by using distributed activation energy model (DAEM) and global kinetic model (GKM). Results showed that thermal oxidative decomposition of two samples processed in three zones; the ignition, burnout, and comprehensive combustibility between two agricultural residues were of great difference; and the combustion performance could be improved by boosting heating rate. The activation energy ranges calculated by the DAEM for the thermal oxidative degradation of PS and SS were 88.94-145.30 kJ mol -1 and 94.86-169.18 kJ mol -1 , respectively. The activation energy obtained by the GKM for the oxidative decomposition of hemicellulose and cellulose was obviously lower than that for the lignin oxidation at identical heating rate. To some degree, the determined kinetic parameters could acceptably simulate experimental data. Copyright © 2018 Elsevier Ltd. All rights reserved.

  15. The eddy kinetic energy budget in the Red Sea

    KAUST Repository

    Zhan, Peng

    2016-06-09

    The budget of eddy kinetic energy (EKE) in the Red Sea, including the sources, redistributions and sink, is examined using a high-resolution eddy-resolving ocean circulation model. A pronounced seasonally varying EKE is identified, with its maximum intensity occurring in winter, and the strongest EKE is captured mainly in the central and northern basins within the upper 200 m. Eddies acquire kinetic energy from conversion of eddy available potential energy (EPE), from transfer of mean kinetic energy (MKE), and from direct generation due to time-varying (turbulent) wind stress, the first of which contributes predominantly to the majority of the EKE. The EPE-to-EKE conversion occurs almost in the entire basin, while the MKE-to-EKE transfer appears mainly along the shelf boundary of the basin (200 miso-bath) where high horizontal shear interacts with topography. The EKE generated by the turbulent wind stress is relatively small and limited to the southern basin. All these processes are intensified during winter, when the rate of energy conversion is about four to five times larger than that in summer. The EKE is redistributed by the vertical and horizontal divergence of energy flux and the advection of the mean flow. As a main sink of EKE, dissipation processes is ubiquitously found in the basin. The seasonal variability of these energy conversion terms can explain the significant seasonality of eddy activities in the Red Sea. This article is protected by copyright. All rights reserved.

  16. Mass, Momentum and Kinetic Energy of a Relativistic Particle

    Science.gov (United States)

    Zanchini, Enzo

    2010-01-01

    A rigorous definition of mass in special relativity, proposed in a recent paper, is recalled and employed to obtain simple and rigorous deductions of the expressions of momentum and kinetic energy for a relativistic particle. The whole logical framework appears as the natural extension of the classical one. Only the first, second and third laws of…

  17. Local kinetic-energy density of the Airy gas

    DEFF Research Database (Denmark)

    Vitos, Levente; Johansson, B.; Kollár, J.

    2000-01-01

    The Airy gas model is used to derive an expression for the local kinetic energy in the linear potential approximation. The expression contains an explicit Laplacian term 2/5((h) over bar(2)/2m)del(mu)(2)(r) that, according to jellium surface calculations, must be a universal feature of any accura...

  18. Supersingular quantum perturbations

    International Nuclear Information System (INIS)

    Detwiler, L.C.; Klauder, J.R.

    1975-01-01

    A perturbation potential is called supersingular whenever generally every matrix element of the perturbation in the unperturbed eigenstates is infinite. It follows that supersingular perturbations do not have conventional perturbation expansions, say for energy eigenvalues. By invoking variational arguments, we determine the asymptotic behavior of the energy eigenvalues for asymptotically small values of the coupling constant of the supersingular perturbation

  19. Block diagrams and the cancellation of divergencies in energy-level perturbation theory

    International Nuclear Information System (INIS)

    Michels, M.A.J.; Suttorp, L.G.

    1979-01-01

    The effective Hamiltonian for the degenerate energy-eigenvalue problem in adiabatic perturbation theory is cast in a form that permits an expansion in Feynman diagrams. By means of a block representation a resummation of these diagrams is carried out such that in the adiabatic limit no divergencies are encountered. The resummed form of the effective Hamiltonian is used to establish a connexion with the S matrix. (Auth.)

  20. Z-1 perturbation theory applied to the correlation energy problem of atoms

    International Nuclear Information System (INIS)

    Robinson, B.H.

    1975-01-01

    Rayleigh--Schroedinger Perturbation Theory is applied to obtain directly exact and explicit analytic formulas for the electron correlation energies of N electron systems in terms of their pairwise interactions through second order in Z -1 , where Z is the nucleus of the atom. It is demonstrated that the second order correlation energy may be expressed as exactly the sum of pairwise correlation energies. In the case of no zeroth order degeneracy, the zeroth and first order terms vanish. The expression for the pairwise energies is an infinite sum, all terms of which are of the same sign. There is no numerical differencing. In the case of zeroth order degeneracy it is shown that the above statement concerning the second order energy still holds, but the expressions are a bit more complicated. It is shown that they ''almost'' reduce to a much simpler form. Also, the computation of the first order correlation energy is considered

  1. Kinetic-energy density functional: Atoms and shell structure

    International Nuclear Information System (INIS)

    Garcia-Gonzalez, P.; Alvarellos, J.E.; Chacon, E.

    1996-01-01

    We present a nonlocal kinetic-energy functional which includes an anisotropic average of the density through a symmetrization procedure. This functional allows a better description of the nonlocal effects of the electron system. The main consequence of the symmetrization is the appearance of a clear shell structure in the atomic density profiles, obtained after the minimization of the total energy. Although previous results with some of the nonlocal kinetic functionals have given incipient structures for heavy atoms, only our functional shows a clear shell structure for most of the atoms. The atomic total energies have a good agreement with the exact calculations. Discussion of the chemical potential and the first ionization potential in atoms is included. The functional is also extended to spin-polarized systems. copyright 1996 The American Physical Society

  2. Kinetic-energy distribution for symmetric fission of 236U

    International Nuclear Information System (INIS)

    Brissot, R.; Bocquet, J.P.; Ristori, C.; Crancon, J.; Guet, C.R.; Nifenecker, H.A.; Montoya, M.

    1980-01-01

    Fission fragment kinetic-energy distributions have been measured at the Grenoble high-flux reactor with the Lohengrin facility. Spurious events were eliminated in the symmetric region by a coherence test based on a time-of-flight measurement of fragment velocities. A Monte-Carlo calculation is then performed to correct the experimental data for neutron evaporation. The difference between the most probable kinetic energy in symmetric fission and the fission in which the heavy fragment is 'magic' (Zsub(H)=50) is found to be approximately =30 MeV. The results suggest that for the symmetric case the total excitation energy available at scission is shared equally among the fragments. (author)

  3. Kinetics with deactivation of methylcyclohexane dehydrogenation for hydrogen energy storage

    Energy Technology Data Exchange (ETDEWEB)

    Maria, G; Marin, A; Wyss, C; Mueller, S; Newson, E [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    The methylcyclohexane dehydrogenation step to recycle toluene and release hydrogen is being studied as part of a hydrogen energy storage project. The reaction is performed catalytically in a fixed bed reactor, and the efficiency of this step significantly determines overall system economics. The fresh catalyst kinetics and the deactivation of the catalyst by coke play an important role in the process analysis. The main reaction kinetics were determined from isothermal experiments using a parameter sensitivity analysis for model discrimination. An activation energy for the main reaction of 220{+-}11 kJ/mol was obtained from a two-parameter model. From non-isothermal deactivation in PC-controlled integral reactors, an activation energy for deactivation of 160 kJ/mol was estimated. A model for catalyst coke content of 3-17 weight% was compared with experimental data. (author) 3 figs., 6 refs.

  4. Low energy pion-pion phase shifts from chiral perturbation theory

    International Nuclear Information System (INIS)

    Borges, J. Sa; Barbosa, J. Soares; Oguri, V.

    1997-01-01

    The low energy pion-pion S- and P- experimental phase-shifts are fitted with chiral perturbation theory (Ch PT) amplitude. The low energy pion-pion S- and P- experimental phase-shifts. The parameters l 1 and l 2 of the one loop corrected amplitude are fixed and the corresponding values of the scattering lengths are calculated. We propose that the present method is the best way to fix Ch P T parameters. The unitarization program of current algebra is also discussed. (author)

  5. Rotational and divergent kinetic energy in the mesoscale model ALADIN

    Directory of Open Access Journals (Sweden)

    V. Blažica

    2013-03-01

    Full Text Available Kinetic energy spectra from the mesoscale numerical weather prediction (NWP model ALADIN with horizontal resolution 4.4 km are split into divergent and rotational components which are then compared at horizontal scales below 300 km and various vertical levels. It is shown that about 50% of kinetic energy in the free troposphere in ALADIN is divergent energy. The percentage increases towards 70% near the surface and in the upper troposphere towards 100 hPa. The maximal percentage of divergent energy is found at stratospheric levels around 100 hPa and at scales below 100 km which are not represented by the global models. At all levels, the divergent energy spectra are characterised by shallower slopes than the rotational energy spectra, and the difference increases as horizontal scales become larger. A very similar vertical distribution of divergent energy is obtained by using the standard ALADIN approach for the computation of spectra based on the extension zone and by applying detrending approach commonly used in mesoscale NWP community.

  6. Nonequilibrium electron energy-loss kinetics in metal clusters

    CERN Document Server

    Guillon, C; Fatti, N D; Vallee, F

    2003-01-01

    Ultrafast energy exchanges of a non-Fermi electron gas with the lattice are investigated in silver clusters with sizes ranging from 4 to 26 nm using a femtosecond pump-probe technique. The results yield evidence for a cluster-size-dependent slowing down of the short-time energy losses of the electron gas when it is strongly athermal. A constant rate is eventually reached after a few hundred femtoseconds, consistent with the electron gas internal thermalization kinetics, this behaviour reflecting evolution from an individual to a collective electron-lattice type of coupling. The timescale of this transient regime is reduced in small nanoparticles, in agreement with speeding up of the electron-electron interactions with size reduction. The experimental results are in quantitative agreement with numerical simulations of the electron kinetics.

  7. Fragmentation and mean kinetic energy release of the nitrogen molecule

    International Nuclear Information System (INIS)

    Santos, A.C.F.; Melo, W.S.; Sant'Anna, M.M.; Sigaud, G.M.; Montenegro, E.C.

    2007-01-01

    Ionization and fragmentation of the N 2 molecule in coincidence with the final projectile charge state have been measured for the impact of 0.188-0.875 MeV/amu He + projectiles. The average kinetic energy release (KER) of the target ionic fragments is derived from the peak widths of their time-of-flight distributions. It is shown that the KER's for singly-charged products follow scaling laws irrespectively to the collision channel

  8. Casimir rack and pinion as a miniaturized kinetic energy harvester

    Science.gov (United States)

    Miri, MirFaez; Etesami, Zahra

    2016-08-01

    We study a nanoscale machine composed of a rack and a pinion with no contact, but intermeshed via the lateral Casimir force. We adopt a simple model for the random velocity of the rack subject to external random forces, namely, a dichotomous noise with zero mean value. We show that the pinion, even when it experiences random thermal torque, can do work against a load. The device thus converts the kinetic energy of the random motions of the rack into useful work.

  9. Symmetry-adapted perturbation theory interaction energy decomposition for some noble gas complexes

    Science.gov (United States)

    Cukras, Janusz; Sadlej, Joanna

    2008-06-01

    This Letter contains a study of the interaction energy in HArF⋯N 2 and HArF⋯P 2 complexes. Symmetry-adapted perturbation theory (SAPT) has been applied to analyze the electrostatic, induction, dispersion and exchange contributions to the total interaction energy. The interaction energy has also been obtained by supermolecular method at the MP2, MP4, CCSD, CCSD(T) levels. The interaction energy for the studied complexes results from a partial cancelation of large attractive electrostatic, induction, dispersion terms by a strong repulsive exchange contribution. The induction and dispersion effects proved to be crucial in establishing the preference for the colinear HArF⋯N 2 and HArF⋯P 2 structures and shift direction of νHAr stretching vibrations.

  10. Within-Day Energy Deficiency and Metabolic Perturbation in Male Endurance Athletes.

    Science.gov (United States)

    Torstveit, Monica Klungland; Fahrenholtz, Ida; Stenqvist, Thomas B; Sylta, Øystein; Melin, Anna

    2018-06-26

    Endurance athletes are at increased risk of relative energy deficiency associated with metabolic perturbation and impaired health. We aimed to estimate and compare within-day energy balance in male athletes with suppressed and normal resting metabolic rate (RMR) and explore whether within-day energy deficiency is associated with endocrine markers of energy deficiency. A total of 31 male cyclists, triathletes, and long-distance runners recruited from regional competitive sports clubs were included. The protocol comprised measurements of RMR by ventilated hood and energy intake and energy expenditure to predict RMR ratio (measured RMR/predicted RMR), energy availability, 24-hr energy balance and within-day energy balance in 1-hr intervals, assessment of body composition by dual-energy X-ray absorptiometry, and blood plasma analysis. Subjects were categorized as having suppressed (RMR ratio   0.90, n = 11) RMR. Despite there being no observed differences in 24-hr energy balance or energy availability between the groups, subjects with suppressed RMR spent more time in an energy deficit exceeding 400 kcal (20.9 [18.8-21.8] hr vs. 10.8 [2.5-16.4], p = .023) and had larger single-hour energy deficits compared with subjects with normal RMR (3,265 ± 1,963 kcal vs. -1,340 ± 2,439, p = .023). Larger single-hour energy deficits were associated with higher cortisol levels (r = -.499, p = .004) and a lower testosterone:cortisol ratio (r = .431, p = .015), but no associations with triiodothyronine or fasting blood glucose were observed. In conclusion, within-day energy deficiency was associated with suppressed RMR and catabolic markers in male endurance athletes.

  11. Rational fraction representations of the energy: a generalised Rayleigh-Schroedinger perturbation theory

    International Nuclear Information System (INIS)

    Cohen, M.; Feldmann, T.

    1981-01-01

    The energy function of a perturbed quantum system is derived directly as a quotient of the form N(lambda)/D(lambda). The Taylor series coefficients of N(lambda) and D(lambda) are found to satisfy certain relations, but there remain many unspecified degrees of freedom which may be freely exploited. Certain choices of coefficients lead to well known Pade and lesser known Levin approximants, but the general formalism includes many other rational function forms. In particular, the present procedure allows information other than the Taylor series coefficients to be included naturally, and is shown to lead to low-order approximants of high accuracy. (author)

  12. Production of transverse energy from minijets in next-to-leading order perturbative QCD

    CERN Document Server

    Eskola, Kari J

    2000-01-01

    We compute in next-to-leading order (NLO) perturbative QCD the transverse energy carried into the central rapidity unit of hadron or nuclear collisions by the partons freed in the few-GeV subcollisions. The formulation is based on a rapidity window and a measurement function of a new type. The behaviour of the NLO results as a function of the minimum transverse momentum and as a function of the scale choice is studied. The NLO results are found to be stable relative to the leading-order ones even in the few-GeV domain.

  13. Momentum and Kinetic Energy Before the Tackle in Rugby Union

    Directory of Open Access Journals (Sweden)

    Sharief Hendricks, David Karpul, Mike Lambert

    2014-09-01

    Full Text Available Understanding the physical demands of a tackle in match situations is important for safe and effective training, developing equipment and research. Physical components such as momentum and kinetic energy, and it relationship to tackle outcome is not known. The aim of this study was to compare momenta between ball-carrier and tackler, level of play (elite, university and junior and position (forwards vs. backs, and describe the relationship between ball-carrier and tackler mass, velocity and momentum and the tackle outcome. Also, report on the ball-carrier and tackler kinetic energy before contact and the estimated magnitude of impact (energy distributed between ball-carrier and tackler upon contact. Velocity over 0.5 seconds before contact was determined using a 2-dimensional scaled version of the field generated from a computer alogorithm. Body masses of players were obtained from their player profiles. Momentum and kinetic energy were subsequently calculated for 60 tackle events. Ball-carriers were heavier than the tacklers (ball-carrier 100 ± 14 kg vs. tackler 93 ± 11 kg, d = 0.52, p = 0.0041, n = 60. Ball-carriers as forwards had a significantly higher momentum than backs (forwards 563 ± 226 Kg.m.s-1 n = 31 vs. backs 438 ± 135 Kg.m.s-1, d = 0.63, p = 0.0012, n = 29. Tacklers dominated 57% of tackles and ball-carriers dominated 43% of tackles. Despite the ball-carrier having a mass advantage before contact more frequently than the tackler, momentum advantage and tackle dominance between the ball-carrier and tackler was proportionally similar. These findings may reflect a characteristic of the modern game of rugby where efficiently heavier players (particularly forwards are tactically predetermined to carry the ball in contact.

  14. Momentum and Kinetic Energy Before the Tackle in Rugby Union

    Science.gov (United States)

    Hendricks, Sharief; Karpul, David; Lambert, Mike

    2014-01-01

    Understanding the physical demands of a tackle in match situations is important for safe and effective training, developing equipment and research. Physical components such as momentum and kinetic energy, and it relationship to tackle outcome is not known. The aim of this study was to compare momenta between ball-carrier and tackler, level of play (elite, university and junior) and position (forwards vs. backs), and describe the relationship between ball-carrier and tackler mass, velocity and momentum and the tackle outcome. Also, report on the ball-carrier and tackler kinetic energy before contact and the estimated magnitude of impact (energy distributed between ball-carrier and tackler upon contact). Velocity over 0.5 seconds before contact was determined using a 2-dimensional scaled version of the field generated from a computer alogorithm. Body masses of players were obtained from their player profiles. Momentum and kinetic energy were subsequently calculated for 60 tackle events. Ball-carriers were heavier than the tacklers (ball-carrier 100 ± 14 kg vs. tackler 93 ± 11 kg, d = 0.52, p = 0.0041, n = 60). Ball-carriers as forwards had a significantly higher momentum than backs (forwards 563 ± 226 Kg.m.s-1 n = 31 vs. backs 438 ± 135 Kg.m.s-1, d = 0.63, p = 0.0012, n = 29). Tacklers dominated 57% of tackles and ball-carriers dominated 43% of tackles. Despite the ball-carrier having a mass advantage before contact more frequently than the tackler, momentum advantage and tackle dominance between the ball-carrier and tackler was proportionally similar. These findings may reflect a characteristic of the modern game of rugby where efficiently heavier players (particularly forwards) are tactically predetermined to carry the ball in contact. Key Points First study to quantify momentum, kinetic energy, and magnitude of impact in rugby tackles across different levels in matches without a device attached to a player. Physical components alone, of either ball-carrier or

  15. Momentum and kinetic energy before the tackle in rugby union.

    Science.gov (United States)

    Hendricks, Sharief; Karpul, David; Lambert, Mike

    2014-09-01

    Understanding the physical demands of a tackle in match situations is important for safe and effective training, developing equipment and research. Physical components such as momentum and kinetic energy, and it relationship to tackle outcome is not known. The aim of this study was to compare momenta between ball-carrier and tackler, level of play (elite, university and junior) and position (forwards vs. backs), and describe the relationship between ball-carrier and tackler mass, velocity and momentum and the tackle outcome. Also, report on the ball-carrier and tackler kinetic energy before contact and the estimated magnitude of impact (energy distributed between ball-carrier and tackler upon contact). Velocity over 0.5 seconds before contact was determined using a 2-dimensional scaled version of the field generated from a computer alogorithm. Body masses of players were obtained from their player profiles. Momentum and kinetic energy were subsequently calculated for 60 tackle events. Ball-carriers were heavier than the tacklers (ball-carrier 100 ± 14 kg vs. tackler 93 ± 11 kg, d = 0.52, p = 0.0041, n = 60). Ball-carriers as forwards had a significantly higher momentum than backs (forwards 563 ± 226 Kg(.)m(.)s(-1) n = 31 vs. backs 438 ± 135 Kg(.)m(.)s(-1), d = 0.63, p = 0.0012, n = 29). Tacklers dominated 57% of tackles and ball-carriers dominated 43% of tackles. Despite the ball-carrier having a mass advantage before contact more frequently than the tackler, momentum advantage and tackle dominance between the ball-carrier and tackler was proportionally similar. These findings may reflect a characteristic of the modern game of rugby where efficiently heavier players (particularly forwards) are tactically predetermined to carry the ball in contact. Key PointsFirst study to quantify momentum, kinetic energy, and magnitude of impact in rugby tackles across different levels in matches without a device attached to a player.Physical components alone, of either ball

  16. Extending Newton's law from nonlocal-in-time kinetic energy

    International Nuclear Information System (INIS)

    Suykens, J.A.K.

    2009-01-01

    We study a new equation of motion derived from a context of classical Newtonian mechanics by replacing the kinetic energy with a form of nonlocal-in-time kinetic energy. It leads to a hypothetical extension of Newton's second law of motion. In a first stage the obtainable solution form is studied by considering an unknown value for the nonlocality time extent. This is done in relation to higher-order Euler-Lagrange equations and a Hamiltonian framework. In a second stage the free particle case and harmonic oscillator case are studied and compared with quantum mechanical results. For a free particle it is shown that the solution form is a superposition of the classical straight line motion and a Fourier series. We discuss the link with quanta interpretations made in Pais-Uhlenbeck oscillators. The discrete nature emerges from the continuous time setting through application of the least action principle. The harmonic oscillator case leads to energy levels that approximately correspond to the quantum harmonic oscillator levels. The solution to the extended Newton equation also admits a quantization of the nonlocality time extent, which is determined by the classical oscillator frequency. The extended equation suggests a new possible way for understanding the relationship between classical and quantum mechanics

  17. Discrete kinetic models from funneled energy landscape simulations.

    Directory of Open Access Journals (Sweden)

    Nicholas P Schafer

    Full Text Available A general method for facilitating the interpretation of computer simulations of protein folding with minimally frustrated energy landscapes is detailed and applied to a designed ankyrin repeat protein (4ANK. In the method, groups of residues are assigned to foldons and these foldons are used to map the conformational space of the protein onto a set of discrete macrobasins. The free energies of the individual macrobasins are then calculated, informing practical kinetic analysis. Two simple assumptions about the universality of the rate for downhill transitions between macrobasins and the natural local connectivity between macrobasins lead to a scheme for predicting overall folding and unfolding rates, generating chevron plots under varying thermodynamic conditions, and inferring dominant kinetic folding pathways. To illustrate the approach, free energies of macrobasins were calculated from biased simulations of a non-additive structure-based model using two structurally motivated foldon definitions at the full and half ankyrin repeat resolutions. The calculated chevrons have features consistent with those measured in stopped flow chemical denaturation experiments. The dominant inferred folding pathway has an "inside-out", nucleation-propagation like character.

  18. Flywheels for Low-Speed Kinetic Energy Storage Systems

    Energy Technology Data Exchange (ETDEWEB)

    Portnov, G.; Cruz, I.; Arias, F.; Fiffe, R. P.

    2003-07-01

    A brief overview of different steel disc-type flywheels is presented. It contents the analysis of relationship between stress-state and kinetic energy of rotating body, comparison of the main characteristics of flywheels and description of their optimization procedures. It is shown that profiles of the discs calculated on a basis of plane stress-state assumption may be considered only as a starting point for its further improvement using 3-D approach. The aim of the review is to provide a designer for a insight into problem of shaping of steel flywheels. (Author) 19 refs.

  19. Tunneling and reflection in unimolecular reaction kinetic energy release distributions

    Science.gov (United States)

    Hansen, K.

    2018-02-01

    The kinetic energy release distributions in unimolecular reactions is calculated with detailed balance theory, taking into account the tunneling and the reflection coefficient in three different types of transition states; (i) a saddle point corresponding to a standard RRKM-type theory, (ii) an attachment Langevin cross section, and (iii) an absorbing sphere potential at short range, without long range interactions. Corrections are significant in the one dimensional saddle point states. Very light and lightly bound absorbing systems will show measurable effects in decays from the absorbing sphere, whereas the Langevin cross section is essentially unchanged.

  20. About total kinetic energy distribution between fragments of binary fission

    International Nuclear Information System (INIS)

    Khugaev, A.V.; Koblik, Yu.N.; Pikul, V.P.; Ioannou, P.; Dimovasili, E.

    2002-01-01

    At the investigation of binary fission reactions one of the main characteristic of process is total kinetic energy (TKE) of fission fragments and it distribution between them. From the values of these characteristics it is possible to extract the information about structure of fission fragments in the break up point of initial fissionable nuclear system. In our work TKE dependence from the deformation parameters of shape and density distribution of charge in the fission fragments are investigated. In the end of paper some generalizations of obtaining results are carried out and presented in the form of tables and figures

  1. Functional derivative of noninteracting kinetic energy density functional

    International Nuclear Information System (INIS)

    Liu Shubin; Ayers, Paul W.

    2004-01-01

    Proofs from different theoretical frameworks, namely, the Hohenbergh-Kohn theorems, the Kohn-Sham scheme, and the first-order density matrix representation, have been presented in this paper to show that the functional derivative of the noninteracting kinetic energy density functional can uniquely be expressed as the negative of the Kohn-Sham effective potential, arbitrary only to an additive orbital-independent constant. Key points leading to the current result as well as confusion about the quantity in the literature are briefly discussed

  2. Flywheels for Low-Speed Kinetic Energy Storage Systems

    International Nuclear Information System (INIS)

    Portnov, G.; Cruz, I.; Arias, F.; Fiffe, R. P.

    2003-01-01

    A brief overview of different steel disc-type flywheels is presented. It contents the analysis of relationship between stress-state and kinetic energy of rotating body, comparison of the main characteristics of flywheels and description of their optimization procedures. It is shown that pro files of the discs calculated on a basis of plane stress-state assumption may be considered only as a starting point for its further improvement using 3-D approach. The aim of the review is to provide a designer for a insight into problem of shaping of steel flywheels. (Author) 19 refs

  3. Trivial constraints on orbital-free kinetic energy density functionals

    Science.gov (United States)

    Luo, Kai; Trickey, S. B.

    2018-03-01

    Approximate kinetic energy density functionals (KEDFs) are central to orbital-free density functional theory. Limitations on the spatial derivative dependencies of KEDFs have been claimed from differential virial theorems. We identify a central defect in the argument: the relationships are not true for an arbitrary density but hold only for the minimizing density and corresponding chemical potential. Contrary to the claims therefore, the relationships are not constraints and provide no independent information about the spatial derivative dependencies of approximate KEDFs. A simple argument also shows that validity for arbitrary v-representable densities is not restored by appeal to the density-potential bijection.

  4. Continuous-energy adjoint flux and perturbation calculation using the iterated fission probability method in Monte-Carlo code TRIPOLI-4 and underlying applications

    International Nuclear Information System (INIS)

    Truchet, G.; Leconte, P.; Peneliau, Y.; Santamarina, A.

    2013-01-01

    The first goal of this paper is to present an exact method able to precisely evaluate very small reactivity effects with a Monte Carlo code (<10 pcm). it has been decided to implement the exact perturbation theory in TRIPOLI-4 and, consequently, to calculate a continuous-energy adjoint flux. The Iterated Fission Probability (IFP) method was chosen because it has shown great results in some other Monte Carlo codes. The IFP method uses a forward calculation to compute the adjoint flux, and consequently, it does not rely on complex code modifications but on the physical definition of the adjoint flux as a phase-space neutron importance. In the first part of this paper, the IFP method implemented in TRIPOLI-4 is described. To illustrate the efficiency of the method, several adjoint fluxes are calculated and compared with their equivalent obtained by the deterministic code APOLLO-2. The new implementation can calculate angular adjoint flux. In the second part, a procedure to carry out an exact perturbation calculation is described. A single cell benchmark has been used to test the accuracy of the method, compared with the 'direct' estimation of the perturbation. Once again the method based on the IFP shows good agreement for a calculation time far more inferior to the 'direct' method. The main advantage of the method is that the relative accuracy of the reactivity variation does not depend on the magnitude of the variation itself, which allows us to calculate very small reactivity perturbations with high precision. It offers the possibility to split reactivity contributions on both isotopes and reactions. Other applications of this perturbation method are presented and tested like the calculation of exact kinetic parameters (βeff, Λeff) or sensitivity parameters

  5. Stochastic evaluation of second-order many-body perturbation energies.

    Science.gov (United States)

    Willow, Soohaeng Yoo; Kim, Kwang S; Hirata, So

    2012-11-28

    With the aid of the Laplace transform, the canonical expression of the second-order many-body perturbation correction to an electronic energy is converted into the sum of two 13-dimensional integrals, the 12-dimensional parts of which are evaluated by Monte Carlo integration. Weight functions are identified that are analytically normalizable, are finite and non-negative everywhere, and share the same singularities as the integrands. They thus generate appropriate distributions of four-electron walkers via the Metropolis algorithm, yielding correlation energies of small molecules within a few mE(h) of the correct values after 10(8) Monte Carlo steps. This algorithm does away with the integral transformation as the hotspot of the usual algorithms, has a far superior size dependence of cost, does not suffer from the sign problem of some quantum Monte Carlo methods, and potentially easily parallelizable and extensible to other more complex electron-correlation theories.

  6. Degenerate RS perturbation theory. [Rayleigh-Schroedinger energies and wave functions

    Science.gov (United States)

    Hirschfelder, J. O.; Certain, P. R.

    1974-01-01

    A concise, systematic procedure is given for determining the Rayleigh-Schroedinger energies and wave functions of degenerate states to arbitrarily high orders even when the degeneracies of the various states are resolved in arbitrary orders. The procedure is expressed in terms of an iterative cycle in which the energy through the (2n + 1)-th order is expressed in terms of the partially determined wave function through the n-th order. Both a direct and an operator derivation are given. The two approaches are equivalent and can be transcribed into each other. The direct approach deals with the wave functions (without the use of formal operators) and has the advantage that it resembles the usual treatment of nondegenerate perturbations and maintains close contact with the basic physics. In the operator approach, the wave functions are expressed in terms of infinite-order operators which are determined by the successive resolution of the space of the zeroth-order functions.

  7. Perturbative expansions from Monte Carlo simulations at weak coupling: Wilson loops and the static-quark self-energy

    Science.gov (United States)

    Trottier, H. D.; Shakespeare, N. H.; Lepage, G. P.; MacKenzie, P. B.

    2002-05-01

    Perturbative coefficients for Wilson loops and the static-quark self-energy are extracted from Monte Carlo simulations at weak coupling. The lattice volumes and couplings are chosen to ensure that the lattice momenta are all perturbative. Twisted boundary conditions are used to eliminate the effects of lattice zero modes and to suppress nonperturbative finite-volume effects due to Z(3) phases. Simulations of the Wilson gluon action are done with both periodic and twisted boundary conditions, and over a wide range of lattice volumes (from 34 to 164) and couplings (from β~9 to β~60). A high precision comparison is made between the simulation data and results from finite-volume lattice perturbation theory. The Monte Carlo results are shown to be in excellent agreement with perturbation theory through second order. New results for third-order coefficients for a number of Wilson loops and the static-quark self-energy are reported.

  8. Within-day energy deficiency and metabolic perturbation in male endurance athletes

    DEFF Research Database (Denmark)

    Torstveit, Monica K; Fahrenholtz, Ida Lysdahl; Stenqvist, Thomas B

    2018-01-01

    ) or normal RMR (RMRratio> 0.90, n=11). Despite no observed differences in 24-hour EB or EA between the groups, subjects with suppressed RMR spent more time in an energy deficit exceeding 400 kcal (20.9 [18.8 - 21.8] hours vs. 10.8 [2.5 - 16.4], P=0.023), and had larger single-hour energy deficits compared......Endurance athletes are at increased risk of relative energy deficiency associated with metabolic perturbation and impaired health. We aimed to estimate and compare within-day energy balance (WDEB) in male athletes with suppressed and normal resting metabolic rate (RMR) and explore if within...... to subjects with normal RMR (3265 ± 1963 kcal vs. -1340 ± 2439, P=0.023). Larger single-hour energy deficits were associated with higher cortisol levels (r = -0.499, P=0.004) and a lower testosterone:cortisol ratio (r = 0.431, P=0.015), but no associations with T3or fasting blood glucose were observed...

  9. Kinetic energy budget for electroconvective flows near ion selective membranes

    Science.gov (United States)

    Wang, Karen; Mani, Ali

    2017-11-01

    Electroconvection occurs when ions are driven from a bulk fluid through an ion-selective surface. When the driving voltage is beyond a threshold, this process undergoes a hydrodynamic instability called electroconvection, which can become chaotic due to nonlinear coupling between ion-transport, fluid flow, and electrostatic forces. Electroconvection significantly enhances ion transport and plays an important role in a wide range of electrochemical applications. We investigate this phenomenon by considering a canonical geometry consisting of a symmetric binary electrolyte between an ion-selective membrane and a reservoir using 2D direct numerical simulation (DNS). Our simulations reveal that for most practical regimes, DNS of electroconvection is expensive. Thus, a plan towards development of reduced-order models is necessary to facilitate the adoption of analysis of this phenomenon in industry. Here we use DNS to analyze the kinetic energy budget to shed light into the mechanisms sustaining flow and mixing in electroconvective flows. Our analysis reveals the relative dominance of kinetic energy sources, dissipation, and transport mechanisms sustaining electroconvection at different distances from the interface and over a wide range of input parameters. Karen Wang was supported by the National Defense Science & Engineering Graduate Fellowship (NDSEG). Ali Mani was supported by the National Science Foundation Award.

  10. Recommended Auger-electron kinetic energies for 42 elemental solids

    International Nuclear Information System (INIS)

    Powell, C.J.

    2010-01-01

    An analysis is presented of Auger-electron kinetic energies (KEs) from four data sources for 65 Auger transitions in 45 elemental solids. For each data source, a single instrument had been used to measure KEs for many elements. In order to compare KEs from two sources, it was necessary to recalibrate the energy scales of each instrument using recommended reference data. Mean KEs are given for most of the Auger transitions for which there were at least two independent measurements and for which differences from the mean KEs were considered acceptably small. In several cases, comparisons were made to published KE data to resolve discrepancies. We are able to recommend mean KEs for 59 Auger transitions from 42 elemental solids and to provide estimates of the uncertainties of these KEs. This compilation should be useful for the determination of chemical shifts of Auger peaks in Auger electron spectroscopy and X-ray photoelectron spectroscopy.

  11. Collective behaviour of linear perturbation waves observed through the energy density spectrum

    Energy Technology Data Exchange (ETDEWEB)

    Scarsoglio, S [Department of Water Engineering, Politecnico di Torino (Italy); De Santi, F; Tordella, D, E-mail: stefania.scarsoglio@polito.it [Department of Aeronautics and Space Engineering, Politecnico di Torino (Italy)

    2011-12-22

    We consider the collective behaviour of small three-dimensional transient perturbations in sheared flows. In particular, we observe their varied life history through the temporal evolution of the amplification factor. The spectrum of wave vectors considered fills the range from the size of the external flow scale to the size of the very short dissipative waves. We observe that the amplification factor distribution is scale-invariant. In the condition we analyze, the system is subject to all the physical processes included in the linearized Navier-Stokes equations. With the exception of the nonlinear interaction, these features are the same as those characterizing the turbulent state. The linearized perturbative system offers a great variety of different transient behaviours associated to the parameter combination present in the initial conditions. For the energy spectrum computed by freezing each wave at the instant where its asymptotic condition is met, we ask whether this system is able to show a power-law scaling analogous to the Kolmogorov argument. At the moment, for at least two typical shear flows, the bluff-body wake and the plane Poiseuille flow, the answer is yes.

  12. Assessing the stability of free-energy perturbation calculations by performing variations in the method

    Science.gov (United States)

    Manzoni, Francesco; Ryde, Ulf

    2018-03-01

    We have calculated relative binding affinities for eight tetrafluorophenyl-triazole-thiogalactoside inhibitors of galectin-3 with the alchemical free-energy perturbation approach. We obtain a mean absolute deviation from experimental estimates of only 2-3 kJ/mol and a correlation coefficient (R 2) of 0.5-0.8 for seven relative affinities spanning a range of up to 11 kJ/mol. We also studied the effect of using different methods to calculate the charges of the inhibitor and different sizes of the perturbed group (the atoms that are described by soft-core potentials and are allowed to have differing coordinates). However, the various approaches gave rather similar results and it is not possible to point out one approach as consistently and significantly better than the others. Instead, we suggest that such small and reasonable variations in the computational method can be used to check how stable the calculated results are and to obtain a more accurate estimate of the uncertainty than if performing only one calculation with a single computational setup.

  13. Kinetic Energy of Tornadoes in the United States.

    Science.gov (United States)

    Fricker, Tyler; Elsner, James B

    2015-01-01

    Tornadoes can cause catastrophic destruction. Here total kinetic energy (TKE) as a metric of destruction is computed from the fraction of the tornado path experiencing various damage levels and a characteristic wind speed for each level. The fraction of the path is obtained from a model developed for the Nuclear Regulatory Commission that combines theory with empirical data. TKE is validated as a useful metric by comparing it to other indexes and loss indicators. Half of all tornadoes have TKE exceeding 62.1 GJ and a quarter have TKE exceeding 383.2 GJ. One percent of the tornadoes have TKE exceeding 31.9 TJ. April has more energy than May with fewer tornadoes; March has more energy than June with half as many tornadoes. September has the least energy but November and December have the fewest tornadoes. Alabama ranks number one in terms of tornado energy with 2.48 PJ over the period 2007-2013. TKE can be used to help better understand the changing nature of tornado activity.

  14. Kinetic Energy of Tornadoes in the United States.

    Directory of Open Access Journals (Sweden)

    Tyler Fricker

    Full Text Available Tornadoes can cause catastrophic destruction. Here total kinetic energy (TKE as a metric of destruction is computed from the fraction of the tornado path experiencing various damage levels and a characteristic wind speed for each level. The fraction of the path is obtained from a model developed for the Nuclear Regulatory Commission that combines theory with empirical data. TKE is validated as a useful metric by comparing it to other indexes and loss indicators. Half of all tornadoes have TKE exceeding 62.1 GJ and a quarter have TKE exceeding 383.2 GJ. One percent of the tornadoes have TKE exceeding 31.9 TJ. April has more energy than May with fewer tornadoes; March has more energy than June with half as many tornadoes. September has the least energy but November and December have the fewest tornadoes. Alabama ranks number one in terms of tornado energy with 2.48 PJ over the period 2007-2013. TKE can be used to help better understand the changing nature of tornado activity.

  15. Energy momentum tensor and operator product expansion in local causal perturbation theory

    International Nuclear Information System (INIS)

    Prange, D.

    2000-09-01

    We derive new examples for algebraic relations of interacting fields in local perturbative quantum field theory. The fundamental building blocks in this approach are time ordered products of free (composed) fields. We give explicit formulas for the construction of Poincare covariant ones, which were already known to exist through cohomological arguments. For a large class of theories the canonical energy momentum tensor is shown to be conserved. Classical theories without dimensionful couplings admit an improved tensor that is additionally traceless. On the example of φ 4 -theory we discuss the improved tensor in the quantum theory. Its trace receives an anomalous contribution due to its conservation. Moreover, we define an interacting bilocal normal product for scalar theories. This leads to an operator product expansion of two time ordered fields. (orig.) [de

  16. ENERGY DISSIPATION IN MAGNETIC NULL POINTS AT KINETIC SCALES

    International Nuclear Information System (INIS)

    Olshevsky, Vyacheslav; Lapenta, Giovanni; Divin, Andrey; Eriksson, Elin; Markidis, Stefano

    2015-01-01

    We use kinetic particle-in-cell and MHD simulations supported by an observational data set to investigate magnetic reconnection in clusters of null points in space plasma. The magnetic configuration under investigation is driven by fast adiabatic flux rope compression that dissipates almost half of the initial magnetic field energy. In this phase powerful currents are excited producing secondary instabilities, and the system is brought into a state of “intermittent turbulence” within a few ion gyro-periods. Reconnection events are distributed all over the simulation domain and energy dissipation is rather volume-filling. Numerous spiral null points interconnected via their spines form null lines embedded into magnetic flux ropes; null point pairs demonstrate the signatures of torsional spine reconnection. However, energy dissipation mainly happens in the shear layers formed by adjacent flux ropes with oppositely directed currents. In these regions radial null pairs are spontaneously emerging and vanishing, associated with electron streams and small-scale current sheets. The number of spiral nulls in the simulation outweighs the number of radial nulls by a factor of 5–10, in accordance with Cluster observations in the Earth's magnetosheath. Twisted magnetic fields with embedded spiral null points might indicate the regions of major energy dissipation for future space missions such as the Magnetospheric Multiscale Mission

  17. Subsolar magnetopause observation and kinetic simulation of a tripolar guide magnetic field perturbation consistent with a magnetic island

    Science.gov (United States)

    Eriksson, S.; Cassak, P. A.; Retinò, A.; Mozer, F. S.

    2016-04-01

    The Polar satellite recorded two reconnection exhausts within 6 min on 1 April 2001 across a subsolar magnetopause that displayed a symmetric plasma density, but different out-of-plane magnetic field signatures for similar solar wind conditions. The first magnetopause crossing displayed a bipolar guide field variation in a weak external guide field consistent with a symmetric Hall field from a single X line. The subsequent crossing represents the first observation of a tripolar guide field perturbation at Earth's magnetopause in a strong guide field. This perturbation consists of a significant guide field enhancement between two narrow guide field depressions. A particle-in-cell simulation for the prevailing conditions across this second event resulted in a magnetic island between two simulated X lines across which a tripolar guide field developed consistent with the observation. The simulated island supports a scenario whereby Polar encountered the asymmetric quadrupole Hall magnetic fields between two X lines for symmetric conditions across the magnetopause.

  18. Local energy equation for two-electron atoms and relation between kinetic energy and electron densities

    International Nuclear Information System (INIS)

    March, N.H.

    2002-08-01

    In early work, Dawson and March [J. Chem. Phys. 81, 5850 (1984)] proposed a local energy method for treating both Hartree-Fock and correlated electron theory. Here, an exactly solvable model two-electron atom with pure harmonic interactions is treated in its ground state in the above context. A functional relation between the kinetic energy density t(r) at the origin r=0 and the electron density p(r) at the same point then emerges. The same approach is applied to the Hookean atom; in which the two electrons repel with Coulombic energy e 2 /r 12 , with r 12 the interelectronic separation, but are still harmonically confined. Again the kinetic energy density t(r) is the focal point, but now generalization away from r=0 is also effected. Finally, brief comments are added about He-like atomic ions in the limit of large atomic number. (author)

  19. Utilization of rotor kinetic energy storage for hybrid vehicles

    Science.gov (United States)

    Hsu, John S [Oak Ridge, TN

    2011-05-03

    A power system for a motor vehicle having an internal combustion engine, the power system comprises an electric machine (12) further comprising a first excitation source (47), a permanent magnet rotor (28) and a magnetic coupling rotor (26) spaced from the permanent magnet rotor and at least one second excitation source (43), the magnetic coupling rotor (26) also including a flywheel having an inertial mass to store kinetic energy during an initial acceleration to an operating speed; and wherein the first excitation source is electrically connected to the second excitation source for power cycling such that the flywheel rotor (26) exerts torque on the permanent magnet rotor (28) to assist braking and acceleration of the permanent magnet rotor (28) and consequently, the vehicle. An axial gap machine and a radial gap machine are disclosed and methods of the invention are also disclosed.

  20. Mass independent kinetic energy reducing inlet system for vacuum environment

    Science.gov (United States)

    Reilly, Peter T. A. [Knoxville, TN

    2010-12-14

    A particle inlet system comprises a first chamber having a limiting orifice for an incoming gas stream and a micrometer controlled expansion slit. Lateral components of the momentum of the particles are substantially cancelled due to symmetry of the configuration once the laminar flow converges at the expansion slit. The particles and flow into a second chamber, which is maintained at a lower pressure than the first chamber, and then moves into a third chamber including multipole guides for electromagnetically confining the particle. The vertical momentum of the particles descending through the center of the third chamber is minimized as an upward stream of gases reduces the downward momentum of the particles. The translational kinetic energy of the particles is near-zero irrespective of the mass of the particles at an exit opening of the third chamber, which may be advantageously employed to provide enhanced mass resolution in mass spectrometry.

  1. Comment on 'Kinetic energy as a density functional'

    International Nuclear Information System (INIS)

    Holas, A.; March, N.H.

    2002-01-01

    In a recent paper, Nesbet [Phys. Rev. A 65, 010502(R) (2001)] has proposed dropping ''the widespread but unjustified assumption that the existence of a ground-state density functional for the kinetic energy, T s [ρ], of an N-electron system implies the existence of a density-functional derivative, δT s [ρ]/δρ(r), equivalent to a local potential function,'' because, according to his arguments, this derivative 'has the mathematical character of a linear operator that acts on orbital wave functions'. Our Comment demonstrates that the statement called by Nesbet an 'unjustified assumption' happens, in fact, to be a rigorously proven theorem. Therefore, his previous conclusions stemming from his different view of this derivative, which undermined the foundations of density-functional theory, can be discounted

  2. Kinetic energy distributions of ions after surface collisions

    International Nuclear Information System (INIS)

    Short, R.T.; Todd, P.J.; Grimm, C.C.

    1991-01-01

    As a part of the development of an organic ion microprobe, to be used for imaging of particular organic compounds in biological tissue, various methods of quadrupole-based tandem mass spectroscopy (MS/MS) have been investigated. High transmission efficiency is essential for the success of the organic ion microprobe, due to expected low analyte concentrations in biological tissue and the potential for sample damage from prolonged exposure to the primary ion beam. MS/MS is necessary for organic ion imaging because of the complex nature of the biological matrices. The goal of these studies of was to optimize the efficiency of daughter ion production and transmission by first determining daughter ion properties and then designing ion optics based on those properties. The properties of main interest are daughter ion kinetic energy and angular distribution. 1 fig

  3. Observations of near-inertial kinetic energy inside mesoscale eddies.

    Science.gov (United States)

    Garcia Gomez, B. I.; Pallas Sanz, E.; Candela, J.

    2016-02-01

    The near-nertial oscillations (NIOs), generated by the wind stress on the surface mixed layer, are the inertia gravity waves with the lowest frequency and the highest kinetic energy. NIOs are important because they drive vertical mixing in the interior ocean during wave breaking events. Although the interaction between NIOs and mesoescale eddies has been reported by several authors, these studies are mostly analytical and numerical, and only few observational studies have attempted to show the differences in near-inertial kinetic energy (KEi) between anticyclonic and cyclonic eddies. In this work the spatial structure of the KEi inside the mesoscale eddies is computed using daily satellite altimetry and observations of horizontal velocity from 30 moorings equipped with acoustic Doppler current profilers in the western Gulf of Mexico. Consistent to theory, the obtained four-year KEi-composites show two times more KEi inside the anticyclonic eddies than inside the cyclonic ones. The vertical cross-sections of the KEi-composites show that the KEi is mainly located near the surface and at the edge of the cyclonic eddies (positive vorticity), whereas the KEi in anticyclonic eddies (negative vorticity) is maximum in the eddy's center and near to the base of the eddy where the NIOs become more inertial, are trapped, and amplified. A relative maximum in the upper anticyclonic eddy is also observed. The cyclonic eddies present a maximum of KEi near to the surface at 70 m, while the maximum of KEi in the anticyclonic eddies occurs between 800 and 1000 m. It is also shown the dependence between the distribution and magnitude of the KEi and the eddy's characteristics such as radius, vorticity, and amplitude.

  4. Energy scavenging strain absorber: application to kinetic dielectric elastomer generator

    Science.gov (United States)

    Jean-Mistral, C.; Beaune, M.; Vu-Cong, T.; Sylvestre, A.

    2014-03-01

    Dielectric elastomer generators (DEGs) are light, compliant, silent energy scavengers. They can easily be incorporated into clothing where they could scavenge energy from the human kinetic movements for biomedical applications. Nevertheless, scavengers based on dielectric elastomers are soft electrostatic generators requiring a high voltage source to polarize them and high external strain, which constitutes the two major disadvantages of these transducers. We propose here a complete structure made up of a strain absorber, a DEG and a simple electronic power circuit. This new structure looks like a patch, can be attached on human's wear and located on the chest, knee, elbow… Our original strain absorber, inspired from a sailing boat winch, is able to heighten the external available strain with a minimal factor of 2. The DEG is made of silicone Danfoss Polypower and it has a total area of 6cm per 2.5cm sustaining a maximal strain of 50% at 1Hz. A complete electromechanical analytical model was developed for the DEG associated to this strain absorber. With a poling voltage of 800V, a scavenged energy of 0.57mJ per cycle is achieved with our complete structure. The performance of the DEG can further be improved by enhancing the imposed strain, by designing a stack structure, by using a dielectric elastomer with high dielectric permittivity.

  5. Virial theorem and the Born-Oppenheimer approximation at different orders of perturbation

    International Nuclear Information System (INIS)

    Olivier, Gabriel; Weislinger, Edmond

    1977-01-01

    The link between the virial theorem and the adiabatic approximation is studied for a few orders of perturbation. It is shown that the total energy of the system is distributed between the mean values of kinetic and potential energy of the nuclei and the electrons in each order of perturbation. No static approximation connected with the Hellmann-Feynman theorem is made [fr

  6. Nuclear Energy Gradients for Internally Contracted Complete Active Space Second-Order Perturbation Theory: Multistate Extensions.

    Science.gov (United States)

    Vlaisavljevich, Bess; Shiozaki, Toru

    2016-08-09

    We report the development of the theory and computer program for analytical nuclear energy gradients for (extended) multistate complete active space perturbation theory (CASPT2) with full internal contraction. The vertical shifts are also considered in this work. This is an extension of the fully internally contracted CASPT2 nuclear gradient program recently developed for a state-specific variant by us [MacLeod and Shiozaki, J. Chem. Phys. 2015, 142, 051103]; in this extension, the so-called λ equation is solved to account for the variation of the multistate CASPT2 energies with respect to the change in the amplitudes obtained in the preceding state-specific CASPT2 calculations, and the Z vector equations are modified accordingly. The program is parallelized using the MPI3 remote memory access protocol that allows us to perform efficient one-sided communication. The optimized geometries of the ground and excited states of a copper corrole and benzophenone are presented as numerical examples. The code is publicly available under the GNU General Public License.

  7. Perturbation correction for alanine dosimeters in different phantom materials in high-energy photon beams.

    Science.gov (United States)

    von Voigts-Rhetz, P; Anton, M; Vorwerk, H; Zink, K

    2016-02-07

    In modern radiotherapy the verification of complex treatments plans is often performed in inhomogeneous or even anthropomorphic phantoms. For dose verification small detectors are necessary and therefore alanine detectors are most suitable. Though the response of alanine for a wide range of clinical photon energies in water is well know, the knowledge about the influence of the surrounding phantom material on the response of alanine is sparse. Therefore we investigated the influence of twenty different surrounding/phantom materials for alanine dosimeters in clinical photon fields via Monte Carlo simulations. The relative electron density of the used materials was in the range [Formula: see text] up to 1.69, covering almost all materials appearing in inhomogeneous or anthropomorphic phantoms used in radiotherapy. The investigations were performed for three different clinical photon spectra ranging from 6 to 25 MV-X and Co-60 and as a result a perturbation correction [Formula: see text] depending on the environmental material was established. The Monte Carlo simulation show, that there is only a small dependence of [Formula: see text] on the phantom material and the photon energy, which is below  ±0.6%. The results confirm the good suitability of alanine detectors for in-vivo dosimetry.

  8. Numerical investigation of non-perturbative kinetic effects of energetic particles on toroidicity-induced Alfvén eigenmodes in tokamaks and stellarators

    International Nuclear Information System (INIS)

    Slaby, Christoph; Könies, Axel; Kleiber, Ralf

    2016-01-01

    The resonant interaction of shear Alfvén waves with energetic particles is investigated numerically in tokamak and stellarator geometry using a non-perturbative MHD-kinetic hybrid approach. The focus lies on toroidicity-induced Alfvén eigenmodes (TAEs), which are most easily destabilized by a fast-particle population in fusion plasmas. While the background plasma is treated within the framework of an ideal-MHD theory, the drive of the fast particles, as well as Landau damping of the background plasma, is modelled using the drift-kinetic Vlasov equation without collisions. Building on analytical theory, a fast numerical tool, STAE-K, has been developed to solve the resulting eigenvalue problem using a Riccati shooting method. The code, which can be used for parameter scans, is applied to tokamaks and the stellarator Wendelstein 7-X. High energetic-ion pressure leads to large growth rates of the TAEs and to their conversion into kinetically modified TAEs and kinetic Alfvén waves via continuum interaction. To better understand the physics of this conversion mechanism, the connections between TAEs and the shear Alfvén wave continuum are examined. It is shown that, when energetic particles are present, the continuum deforms substantially and the TAE frequency can leave the continuum gap. The interaction of the TAE with the continuum leads to singularities in the eigenfunctions. To further advance the physical model and also to eliminate the MHD continuum together with the singularities in the eigenfunctions, a fourth-order term connected to radiative damping has been included. The radiative damping term is connected to non-ideal effects of the bulk plasma and introduces higher-order derivatives to the model. Thus, it has the potential to substantially change the nature of the solution. For the first time, the fast-particle drive, Landau damping, continuum damping, and radiative damping have been modelled together in tokamak- as well as in stellarator geometry.

  9. Numerical investigation of non-perturbative kinetic effects of energetic particles on toroidicity-induced Alfvén eigenmodes in tokamaks and stellarators

    Energy Technology Data Exchange (ETDEWEB)

    Slaby, Christoph; Könies, Axel; Kleiber, Ralf [Max-Planck-Institut für Plasmaphysik, D-17491 Greifswald (Germany)

    2016-09-15

    The resonant interaction of shear Alfvén waves with energetic particles is investigated numerically in tokamak and stellarator geometry using a non-perturbative MHD-kinetic hybrid approach. The focus lies on toroidicity-induced Alfvén eigenmodes (TAEs), which are most easily destabilized by a fast-particle population in fusion plasmas. While the background plasma is treated within the framework of an ideal-MHD theory, the drive of the fast particles, as well as Landau damping of the background plasma, is modelled using the drift-kinetic Vlasov equation without collisions. Building on analytical theory, a fast numerical tool, STAE-K, has been developed to solve the resulting eigenvalue problem using a Riccati shooting method. The code, which can be used for parameter scans, is applied to tokamaks and the stellarator Wendelstein 7-X. High energetic-ion pressure leads to large growth rates of the TAEs and to their conversion into kinetically modified TAEs and kinetic Alfvén waves via continuum interaction. To better understand the physics of this conversion mechanism, the connections between TAEs and the shear Alfvén wave continuum are examined. It is shown that, when energetic particles are present, the continuum deforms substantially and the TAE frequency can leave the continuum gap. The interaction of the TAE with the continuum leads to singularities in the eigenfunctions. To further advance the physical model and also to eliminate the MHD continuum together with the singularities in the eigenfunctions, a fourth-order term connected to radiative damping has been included. The radiative damping term is connected to non-ideal effects of the bulk plasma and introduces higher-order derivatives to the model. Thus, it has the potential to substantially change the nature of the solution. For the first time, the fast-particle drive, Landau damping, continuum damping, and radiative damping have been modelled together in tokamak- as well as in stellarator geometry.

  10. Complex energies from real perturbation series for the LoSurdo-Stark effect in hydrogen by Borel-Pade approximants

    Energy Technology Data Exchange (ETDEWEB)

    Franceschini, V.; Grecchi, V.; Silverstone, H.J.

    1985-09-01

    The resonance energies for the hydrogen atom in an electric field, both the real and imaginary parts, have been calculated together from the real Rayleigh-Schroedinger perturbation series by Borel summation. Pade approximants were used to evaluate the Borel transform. The numerical results compare well with values obtained by the complex-coordinate variational method and by sequential use of Pade approximants.

  11. Characterization of the dose perturbation in tissue by stents as a function of external beam energy

    International Nuclear Information System (INIS)

    Schell, M.C.; Rosenzweig, D.P.; Weaver, K.A.; Rubin, P.

    1997-01-01

    medium, in contrast to the atomic number, which is relevant for photoelectric absorption. The dose estimates for megavoltage x rays adjacent to the stent are complicated by the lack of charged particle equilibrium. Conclusions: There is a limited but definite increase in the dose delivery to the arterial wall when stents are irradiated with orthovoltage x-ray energies. This may explain the negative response of the studies by Schwartz, et al. The presence of the stent does perturb the character and magnitude of the dose in the arterial wall as a function of beam quality

  12. Density perturbations in a braneworld universe with dark radiation

    International Nuclear Information System (INIS)

    Gumjudpai, Burin; Maartens, Roy; Gordon, Christopher

    2003-01-01

    We investigate the effects on cosmological density perturbations of dark radiation in a Randall-Sundrum 2-type braneworld. Dark radiation in the background is limited by observational constraints to be a small fraction of the radiation energy density, but it has an interesting qualitative effect in the radiation era. On large scales, it serves to slightly suppress the radiation density perturbations at late times, while boosting the perturbations in dark radiation. In a kinetic (stiff) era, the suppression is much stronger, and drives the density perturbations to zero

  13. A calculation of internal kinetic energy and polarizability of compressed argon from the statistical atom model

    NARCIS (Netherlands)

    Seldam, C.A. ten; Groot, S.R. de

    1952-01-01

    From Jensen's and Gombás' modification of the statistical Thomas-Fermi atom model, a theory for compressed atoms is developed by changing the boundary conditions. Internal kinetic energy and polarizability of argon are calculated as functions of pressure. At 1000 atm. an internal kinetic energy of

  14. A Comparison of Kinetic Energy and Momentum in Special Relativity and Classical Mechanics

    Science.gov (United States)

    Riggs, Peter J.

    2016-01-01

    Kinetic energy and momentum are indispensable dynamical quantities in both the special theory of relativity and in classical mechanics. Although momentum and kinetic energy are central to understanding dynamics, the differences between their relativistic and classical notions have not always received adequate treatment in undergraduate teaching.…

  15. Accurate energy levels for the anharmonic oscillator and a summable series for the double-well potential in perturbation theory

    International Nuclear Information System (INIS)

    Caswell, W.E.

    1979-01-01

    We introduce a generalization of Wick-ordering which maps the anharmonic oscillator (AO) Hamiltonian for mass m and coupling lambda exactly into a ''Wick-ordered'' Hamiltonian with an effective mass M which is a simple analytic function of lambda and m. The effective coupling Λ=lambda/M 3 is bounded. We transform the AO perturbation series in lambda into one in Λ. This series may then be summed using Borel summation methods. We also introduce a new summation method for the AO series (which is a practical necessity to obtain accurate energy levels of the excited states). We obtain a numerical accuracy for (E/sub P/T--E/sub e/xact)/ E/sub e/xact of at least 10 -7 (using 20 orders of perturbation theory) and 10 -3 (using only 2 orders of perturbation theory) for all couplings and all energy levels of the anharmonic oscillator. The methods are applicable also to the double-well potential (DWP, the AO with a negative mass-squared). The only change is that now the effective coupling is unbounded as lambda→0. The series in Λ is, however, still summable. The relative accuracy in the energy levels for 20 orders of perturbation theory varies from 10 -7 for large coupling to 1% at lambda=0.1 and to 10% at lambda=.05. We also present results for the sextic oscillator

  16. Confronting dark energy models mimicking ΛCDM epoch with observational constraints: Future cosmological perturbations decay or future Rip?

    International Nuclear Information System (INIS)

    Astashenok, Artyom V.; Odintsov, Sergei D.

    2013-01-01

    We confront dark energy models which are currently similar to ΛCDM theory with observational data which include the SNe data, matter density perturbations and baryon acoustic oscillations data. DE cosmology under consideration may evolve to Big Rip, type II or type III future singularity, or to Little Rip or Pseudo-Rip universe. It is shown that matter perturbations data define more precisely the possible deviation from ΛCDM model than consideration of SNe data only. The combined data analysis proves that DE models under consideration are as consistent as ΛCDM model. We demonstrate that growth of matter density perturbations may occur at sufficiently small background density but still before the possible disintegration of bound objects (like clusters of galaxies, galaxies, etc.) in Big Rip, type III singularity, Little Rip or Pseudo-Rip universe. This new effect may bring the future universe to chaotic state well before disintegration or Rip.

  17. Numeric kinetic energy operators for molecules in polyspherical coordinates

    International Nuclear Information System (INIS)

    Sadri, Keyvan; Meyer, Hans-Dieter; Lauvergnat, David; Gatti, Fabien

    2012-01-01

    Generalized curvilinear coordinates, as, e.g., polyspherical coordinates, are in general better adapted to the resolution of the nuclear Schrödinger equation than rectilinear ones like the normal mode coordinates. However, analytical expressions of the kinetic energy operators (KEOs) for molecular systems in polyspherical coordinates may be prohibitively complicated for large systems. In this paper we propose a method to generate a KEO numerically and bring it to a form practicable for dynamical calculations. To examine the new method we calculated vibrational spectra and eigenenergies for nitrous acid (HONO) and compare it with results obtained with an exact analytical KEO derived previously [F. Richter, P. Rosmus, F. Gatti, and H.-D. Meyer, J. Chem. Phys. 120, 6072 (2004)]. In a second example we calculated π→π* photoabsorption spectrum and eigenenergies of ethene (C 2 H 4 ) and compared it with previous work [M. R. Brill, F. Gatti, D. Lauvergnat, and H.-D. Meyer, Chem. Phys. 338, 186 (2007)]. In this ethene study the dimensionality was reduced from 12 to 6 by freezing six internal coordinates. Results for both molecules show that the proposed method for obtaining an approximate KEO is reliable for dynamical calculations. The error in eigenenergies was found to be below 1 cm −1 for most states calculated.

  18. Kinetic Energy Dissipation on Labyrinth Configuration Stepped Spillway

    Directory of Open Access Journals (Sweden)

    Jaafar S. Maatooq

    2017-12-01

    Full Text Available In present work a labyrinth (zigzag, in shape has been used to configure the steps of stepped spillway by using the physical model. This configuration does not introduce previously by investigators or in construction techniques of dams or cascades. It would be expected to improve the flow over chute. A magnifying the width path of each step to become, LT, instead of, W, will induce the interlocking between the mainstream and that spread laterally due to labyrinth path. This phenomenon leads to reduce the jet velocities near the surfaces, thus minimizing the ability of cavitation and with increasing a circulation regions the ability of air entrainment be maximized. The results were encouraging, (e.g., the reverse performance has recorded for spillway slope. From the evaluation of outcome, the average recorded of percentage profits of kinetic energy dissipation with a labyrinth shape compared with the results of traditional shape were ranged between (13- 44%. Different predictive formulas have been proposed based on iteration analysis, can be recommended for evaluation and design.

  19. Mechanism of seasonal eddy kinetic energy variability in the eastern equatorial Pacific Ocean

    Science.gov (United States)

    Wang, Minyang; Du, Yan; Qiu, Bo; Cheng, Xuhua; Luo, Yiyong; Chen, Xiao; Feng, Ming

    2017-04-01

    Enhanced mesoscale eddy activities or tropical instability waves (TIWs) exist along the northern front of the cold tongue in the eastern equatorial Pacific Ocean. In this study, we investigate seasonal variability of eddy kinetic energy (EKE) over this region and its associated dynamic mechanism using a global, eddy-resolving ocean general circulation model (OGCM) simulation, the equatorial mooring data, and satellite altimeter observations. The seasonal-varying enhanced EKE signals are found to expand westward from 100°W in June to 180°W in December between 0°N and 6°N. This westward expansion in EKE is closely connected to the barotropically-baroclinically unstable zonal flows that are in thermal-wind balance with the seasonal-varying thermocline trough along 4°N. By adopting an 1½-layer reduced-gravity model, we confirm that the seasonal perturbation of the thermocline trough is dominated by the anticyclonic wind stress curl forcing, which develops due to southerly winds along 4°N from June to December.

  20. Conversion of magnetic energy to runaway kinetic energy during the termination of runaway current on the J-TEXT tokamak

    Science.gov (United States)

    Dai, A. J.; Chen, Z. Y.; Huang, D. W.; Tong, R. H.; Zhang, J.; Wei, Y. N.; Ma, T. K.; Wang, X. L.; Yang, H. Y.; Gao, H. L.; Pan, Y.; the J-TEXT Team

    2018-05-01

    A large number of runaway electrons (REs) with energies as high as several tens of mega-electron volt (MeV) may be generated during disruptions on a large-scale tokamak. The kinetic energy carried by REs is eventually deposited on the plasma-facing components, causing damage and posing a threat on the operation of the tokamak. The remaining magnetic energy following a thermal quench is significant on a large-scale tokamak. The conversion of magnetic energy to runaway kinetic energy will increase the threat of runaway electrons on the first wall. The magnetic energy dissipated inside the vacuum vessel (VV) equals the decrease of initial magnetic energy inside the VV plus the magnetic energy flowing into the VV during a disruption. Based on the estimated magnetic energy, the evolution of magnetic-kinetic energy conversion are analyzed through three periods in disruptions with a runaway current plateau.

  1. Level density approach to perturbation theory and inverse-energy-weighted sum-rules

    International Nuclear Information System (INIS)

    Halemane, T.R.

    1983-01-01

    The terms in the familiar Rayleigh-Schroedinger perturbation series involve eigenvalues and eigenfunctions of the unperturbed operator. A level density formalism, that does not involve computation of eigenvalues and eigenfunctions, is given here for the perturbation series. In the CLT (central limit theorem) limit the expressions take very simple linear forms. The evaluation is in terms of moments and traces of operators and operator products. 3 references

  2. Perturbative expansions from Monte Carlo simulations at weak coupling: Wilson loops and the static-quark self-energy

    International Nuclear Information System (INIS)

    Trottier, H.D.; Shakespeare, N.H.; Lepage, G.P.; Mackenzie, P.B.

    2002-01-01

    Perturbative coefficients for Wilson loops and the static-quark self-energy are extracted from Monte Carlo simulations at weak coupling. The lattice volumes and couplings are chosen to ensure that the lattice momenta are all perturbative. Twisted boundary conditions are used to eliminate the effects of lattice zero modes and to suppress nonperturbative finite-volume effects due to Z(3) phases. Simulations of the Wilson gluon action are done with both periodic and twisted boundary conditions, and over a wide range of lattice volumes (from 3 4 to 16 4 ) and couplings (from β≅9 to β≅60). A high precision comparison is made between the simulation data and results from finite-volume lattice perturbation theory. The Monte Carlo results are shown to be in excellent agreement with perturbation theory through second order. New results for third-order coefficients for a number of Wilson loops and the static-quark self-energy are reported

  3. Implementasi Algoritma Perturb and Observe untuk Mengoptimasi Daya Keluaran Solar Cell Menggunakan MPPT di Laboratorium Energi Baru Terbarukan

    Directory of Open Access Journals (Sweden)

    Sri Utami

    2017-02-01

    Full Text Available Energi yang dihasilkan oleh sel surya sangat bervariasi dan sangat tergantung pada kondisi cuaca. Untuk mengoptimasinya digunakan maximum power point. Penelitian ini mengimplementasikan algoritma Perturb and Observe pada Maximum Power Point Tracker (MPPT sebagai kontroller untuk pembangkitan energi surya. Sistem dibangun menggunakan Arduino Uno R3 untuk mengekstraksi daya maksimum panel surya. Microcontroller ini mengontrol DC buck converter dan digunakan untuk charging baterai 6V. Metode ini beroperasi dengan memberi perturbing tegangan atau arus terminal array dan membandingkan daya yang dihasilkan dengan output panel surya. Diperlukan perturbing yang sesuai untuk mendapatkan nilai optimasi yang tepat. Validasi dari panel surya menggunakan metode yang diusulkan pada MPPT-nya memberikan performansi yang lebih baik dibuktikan pada nilai daya dan tegangannya. Menggunakan parameter perturbation 0.1, MPPT mampu mengoptimasi daya ouput panel surya sebesar 24.49 W dengan beban 5 ? dan nilai irradiasi 523 W/m2  dibandingkan dengan metode konvensional dengan beban sama dan nilai irradiasi sebesar 527 W/m2 yang menghasilkan daya keluaran 15.37 W

  4. Kinetic energy management in road traffic injury prevention: a call for action

    Directory of Open Access Journals (Sweden)

    Davoud Khorasani-Zavareh

    2015-01-01

    Full Text Available Abstract: By virtue of their variability, mass and speed have important roles in transferring energies during a crash incidence (kinetic energy. The sum of kinetic energy is important in determining an injury severity and that is equal to one half of the vehicle mass multiplied by the square of the vehicle speed. To meet the Vision Zero policy (a traffic safety policy prevention activities should be focused on vehicle speed management. Understanding the role of kinetic energy will help to develop measures to reduce the generation, distribution, and effects of this energy during a road traffic crash. Road traffic injury preventive activities necessitate Kinetic energy management to improve road user safety.

  5. The influence of waves on the tidal kinetic energy resource at a tidal stream energy site

    International Nuclear Information System (INIS)

    Guillou, Nicolas; Chapalain, Georges; Neill, Simon P.

    2016-01-01

    Highlights: • We model the influence of waves on tidal kinetic energy in the Fromveur Strait. • Numerical results are compared with field data of waves and currents. • The introduction of waves improve predictions of tidal stream power during storm. • Mean spring tidal stream potential is reduced by 12% during extreme wave conditions. • Potential is reduced by 7.8% with waves forces and 5.3% with enhanced friction. - Abstract: Successful deployment of tidal energy converters relies on access to accurate and high resolution numerical assessments of available tidal stream power. However, since suitable tidal stream sites are located in relatively shallow waters of the continental shelf where tidal currents are enhanced, tidal energy converters may experience effects of wind-generated surface-gravity waves. Waves may thus influence tidal currents, and associated kinetic energy, through two non-linear processes: the interaction of wave and current bottom boundary layers, and the generation of wave-induced currents. Here, we develop a three-dimensional tidal circulation model coupled with a phase-averaged wave model to quantify the impact of the waves on the tidal kinetic energy resource of the Fromveur Strait (western Brittany) - a region that has been identified with strong potential for tidal array development. Numerical results are compared with in situ observations of wave parameters (significant wave height, peak period and mean wave direction) and current amplitude and direction 10 m above the seabed (the assumed technology hub height for this region). The introduction of waves is found to improve predictions of tidal stream power at 10 m above the seabed at the measurement site in the Strait, reducing kinetic energy by up to 9% during storm conditions. Synoptic effects of wave radiation stresses and enhanced bottom friction are more specifically identified at the scale of the Strait. Waves contribute to a slight increase in the spatial gradient of

  6. Origins of Eddy Kinetic Energy in the Bay of Bengal

    Science.gov (United States)

    Chen, Gengxin; Li, Yuanlong; Xie, Qiang; Wang, Dongxiao

    2018-03-01

    By analyzing satellite observational data and ocean general circulation model experiments, this study investigates the key processes that determine the spatial distribution and seasonality of intraseasonal eddy kinetic energy (EKE) within the Bay of Bengal (BOB). It is revealed that a complicated mechanism involving both local and remote wind forcing and ocean internal instability is responsible for the generation and modulation of EKE in this region. High-level EKE mainly resides in four regions: east of Sri Lanka (Region 1), the western BOB (Region 2), northwest of Sumatra (Region 3), and the coastal rim of the BOB (Region 4). The high EKE levels in Regions 1 and 2 are predominantly produced by ocean internal instability, which contributes 90% and 79%, respectively. Prominent seasonality is also observed in these two regions, with higher EKE levels in boreal spring and fall due to enhanced instability of the East Indian Coast Current and the Southwest Monsoon Current, respectively. In contrast, ocean internal instability contributes 49% and 52% of the total EKE in Regions 3 and 4, respectively, whereas the atmospheric forcing of intraseasonal oscillations (ISOs) also plays an important role. ISOs produce EKE mainly through wind stress, involving both the remote effect of equatorial winds and the local effect of monsoonal winds. Equatorial-origin wave signals significantly enhance the EKE levels in Regions 3 and 4, in the form of reflected Rossby waves and coastal Kelvin waves, respectively. The local wind forcing effect through Ekman pumping also has a significant contribution in Regions 3 and 4 (24% and 22%, respectively).

  7. Third-Order Density Perturbation and One-Loop Power Spectrum in Dark-Energy-Dominated Universe

    OpenAIRE

    Takahashi, Ryuichi

    2008-01-01

    We investigate the third-order density perturbation and the one-loop correction to the linear power spectrum in the dark-energy cosmological model. Our main interest is to understand the dark-energy effect on baryon acoustic oscillations in a quasi-nonlinear regime ($k \\approx 0.1h$/Mpc). Analytical solutions and simple fitting formulae are presented for the dark-energy model with the general time-varying equation of state $w(a)$. It turns out that the power spectrum coincides with the approx...

  8. Energy Conservation Tests of a Coupled Kinetic-kinetic Plasma-neutral Transport Code

    Energy Technology Data Exchange (ETDEWEB)

    Stotler, D. P.; Chang, C. S.; Ku, S. H.; Lang, J.; Park, G.

    2012-08-29

    A Monte Carlo neutral transport routine, based on DEGAS2, has been coupled to the guiding center ion-electron-neutral neoclassical PIC code XGC0 to provide a realistic treatment of neutral atoms and molecules in the tokamak edge plasma. The DEGAS2 routine allows detailed atomic physics and plasma-material interaction processes to be incorporated into these simulations. The spatial pro le of the neutral particle source used in the DEGAS2 routine is determined from the uxes of XGC0 ions to the material surfaces. The kinetic-kinetic plasma-neutral transport capability is demonstrated with example pedestal fueling simulations.

  9. Prediction of free turbulent mixing using a turbulent kinetic energy method

    Science.gov (United States)

    Harsha, P. T.

    1973-01-01

    Free turbulent mixing of two-dimensional and axisymmetric one- and two-stream flows is analyzed by a relatively simple turbulent kinetic energy method. This method incorporates a linear relationship between the turbulent shear and the turbulent kinetic energy and an algebraic relationship for the length scale appearing in the turbulent kinetic energy equation. Good results are obtained for a wide variety of flows. The technique is shown to be especially applicable to flows with heat and mass transfer, for which nonunity Prandtl and Schmidt numbers may be assumed.

  10. Kinetic energy budgets near the turbulent/nonturbulent interface in jets

    Science.gov (United States)

    Taveira, Rodrigo R.; da Silva, Carlos B.

    2013-01-01

    The dynamics of the kinetic energy near the turbulent/nonturbulent (T/NT) interface separating the turbulent from the irrotational flow regions is analysed using three direct numerical simulations of turbulent planar jets, with Reynolds numbers based on the Taylor micro-scale across the jet shear layer in the range Reλ ≈ 120-160. Important levels of kinetic energy are already present in the irrotational region near the T/NT interface. The mean pressure and kinetic energy are well described by the Bernoulli equation in this region and agree with recent results obtained from rapid distortion theory in the turbulent region [M. A. C. Teixeira and C. B. da Silva, "Turbulence dynamics near a turbulent/non-turbulent interface," J. Fluid Mech. 695, 257-287 (2012)], 10.1017/jfm.2012.17 while the normal Reynolds stresses agree with the theoretical predictions from Phillips ["The irrotational motion outside a free turbulent boundary," Proc. Cambridge Philos. Soc. 51, 220 (1955)], 10.1017/S0305004100030073. The use of conditional statistics in relation to the distance from the T/NT interface allow a detailed study of the build up of kinetic energy across the T/NT interface, pointing to a very different picture than using classical statistics. Conditional kinetic energy budgets show that apart from the viscous dissipation of kinetic energy, the maximum of all the mechanisms governing the kinetic energy are concentrated in a very narrow region distancing about one to two Taylor micro-scales from the T/NT interface. The (total and fluctuating) kinetic energy starts increasing in the irrotational region by pressure-velocity interactions - a mechanism that can act at distance, and continue to grow by advection (for the total kinetic energy) and turbulent diffusion (for the turbulent kinetic energy) inside the turbulent region. These mechanisms tend to occur preferentially around the core of the large-scale vortices existing near T/NT interface. The production of turbulent

  11. Bidirectional Energy Cascades and the Origin of Kinetic Alfvenic and Whistler Turbulence in the Solar Wind

    Science.gov (United States)

    Che, H.; Goldstein, M. L.; Vinas, A. F.

    2014-01-01

    The observed steep kinetic scale turbulence spectrum in the solar wind raises the question of how that turbulence originates. Observations of keV energetic electrons during solar quiet time suggest them as a possible source of free energy to drive kinetic turbulence. Using particle-in-cell simulations, we explore how the free energy released by an electron two-stream instability drives Weibel-like electromagnetic waves that excite wave-wave interactions. Consequently, both kinetic Alfvénic and whistler turbulence are excited that evolve through inverse and forward magnetic energy cascades.

  12. A Systematic Approach for Computing Zero-Point Energy, Quantum Partition Function, and Tunneling Effect Based on Kleinert's Variational Perturbation Theory.

    Science.gov (United States)

    Wong, Kin-Yiu; Gao, Jiali

    2008-09-09

    of the KP theory is further examined in comparison with results from the traditional Rayleigh-Ritz variational approach and Rayleigh-Schrödinger perturbation theory in wave mechanics. The present method can be used for thermodynamic and quantum dynamic calculations, including to systematically determine the exact value of zero-point energy and to study kinetic isotope effects for chemical reactions in solution and in enzymes.

  13. Influence of the interaction volume on the kinetic energy resolution of a velocity map imaging spectrometer

    International Nuclear Information System (INIS)

    Zhang Peng; Feng Zheng-Peng; Luo Si-Qiang; Wang Zhe

    2016-01-01

    We investigate the influence of the interaction volume on the energy resolution of a velocity map imaging spectrometer. The simulation results show that the axial interaction size has a significant influence on the resolution. This influence is increased for a higher kinetic energy. We further show that the radial interaction size has a minor influence on the energy resolution for the electron or ion with medium energy, but it is crucial for the resolution of the electron or ion with low kinetic energy. By tracing the flight trajectories we show how the electron or ion energy resolution is influenced by the interaction size. (paper)

  14. The mass angular scattering power method for determining the kinetic energies of clinical electron beams

    International Nuclear Information System (INIS)

    Blais, N.; Podgorsak, E.B.

    1992-01-01

    A method for determining the kinetic energy of clinical electron beams is described, based on the measurement in air of the spatial spread of a pencil electron beam which is produced from the broad clinical electron beam. As predicted by the Fermi-Eyges theory, the dose distribution measured in air on a plane, perpendicular to the incident direction of the initial pencil electron beam, is Gaussian. The square of its spatial spread is related to the mass angular scattering power which in turn is related to the kinetic energy of the electron beam. The measured spatial spread may thus be used to determine the mass angular scattering power, which is then used to determine the kinetic energy of the electron beam from the known relationship between mass angular scattering power and kinetic energy. Energies obtained with the mass angular scattering power method agree with those obtained with the electron range method. (author)

  15. Energy partitioning constraints at kinetic scales in low-β turbulence

    Science.gov (United States)

    Gershman, Daniel J.; F.-Viñas, Adolfo; Dorelli, John C.; Goldstein, Melvyn L.; Shuster, Jason; Avanov, Levon A.; Boardsen, Scott A.; Stawarz, Julia E.; Schwartz, Steven J.; Schiff, Conrad; Lavraud, Benoit; Saito, Yoshifumi; Paterson, William R.; Giles, Barbara L.; Pollock, Craig J.; Strangeway, Robert J.; Russell, Christopher T.; Torbert, Roy B.; Moore, Thomas E.; Burch, James L.

    2018-02-01

    Turbulence is a fundamental physical process through which energy injected into a system at large scales cascades to smaller scales. In collisionless plasmas, turbulence provides a critical mechanism for dissipating electromagnetic energy. Here, we present observations of plasma fluctuations in low-β turbulence using data from NASA's Magnetospheric Multiscale mission in Earth's magnetosheath. We provide constraints on the partitioning of turbulent energy density in the fluid, ion-kinetic, and electron-kinetic ranges. Magnetic field fluctuations dominated the energy density spectrum throughout the fluid and ion-kinetic ranges, consistent with previous observations of turbulence in similar plasma regimes. However, at scales shorter than the electron inertial length, fluctuation power in electron kinetic energy significantly exceeded that of the magnetic field, resulting in an electron-motion-regulated cascade at small scales. This dominance is highly relevant for the study of turbulence in highly magnetized laboratory and astrophysical plasmas.

  16. Determination of kinetic coefficients for proton-nucleus collisions at high energy

    International Nuclear Information System (INIS)

    Rizzato, C.M.

    1987-01-01

    From the effective proton dynamics, the approximations in the context of high energy collisions which lead to the Boltzmann equation, are established. From this equation, general expressions for the kinetic coefficients are deduced. Using a simple model, analytical expressions for kinetic coefficients are obtained. The importance of the effect of Pauli blocking is also shown. (author) [pt

  17. On the equipartition of kinetic energy in an ideal gas mixture

    International Nuclear Information System (INIS)

    Peliti, L

    2007-01-01

    A refinement of an argument due to Maxwell for the equipartition of translational kinetic energy in a mixture of ideal gases with different masses is proposed. The argument is elementary, yet it may work as an illustration of the role of symmetry and independence postulates in kinetic theory

  18. On the Equipartition of Kinetic Energy in an Ideal Gas Mixture

    Science.gov (United States)

    Peliti, L.

    2007-01-01

    A refinement of an argument due to Maxwell for the equipartition of translational kinetic energy in a mixture of ideal gases with different masses is proposed. The argument is elementary, yet it may work as an illustration of the role of symmetry and independence postulates in kinetic theory. (Contains 1 figure.)

  19. Testing Einstein's gravity and dark energy with growth of matter perturbations: Indications for new physics?

    Science.gov (United States)

    Basilakos, Spyros; Nesseris, Savvas

    2016-12-01

    The growth index of matter fluctuations is computed for ten distinct accelerating cosmological models and confronted by the latest growth-rate data via a two-step process. First, we implement a joint statistical analysis in order to place constraints on the free parameters of all models using solely background data. Second, using the observed growth rate of clustering from various galaxy surveys we test the performance of the current cosmological models at the perturbation level while either marginalizing over σ8 or having it as a free parameter. As a result, we find that at a statistical level, i.e., after considering the best-fit χ2 or the value of the Akaike information criterion, most models are in very good agreement with the growth-rate data and are practically indistinguishable from Λ CDM . However, when we also consider the internal consistency of the models by comparing the theoretically predicted values of (γ0,γ1), i.e., the value of the growth index γ (z ) and its derivative today, with the best-fit ones, we find that the predictions of three out of ten dark energy models are in mild tension with the best-fit ones when σ8 is marginalized over. When σ8 is free we find that most models are not only in mild tension, but also predict low values for σ8. This could be attributed to either a systematic problem with the growth-rate data or the emergence of new physics at low redshifts, with the latter possibly being related to the well-known issue of the lack of power at small scales. Finally, by utilizing mock data based on an large synoptic survey telescope-like survey we show that with future surveys and by using the growth index parametrization, it will be possible to resolve the issue of the low σ8 but also the tension between the fitted and theoretically predicted values of (γ0,γ1).

  20. Raindrop Kinetic Energy Piezoelectric Harvesters and Relevant Interface Circuits: Review, Issues and Outlooks

    Directory of Open Access Journals (Sweden)

    Kok Gnee CHUA

    2016-05-01

    Full Text Available As an ecological source of renewable energy, the available kinetic energy of rainfall is not trifling, especially in tropical countries at the equators. The research on the use of piezoelectric transducer to harvest raindrop kinetic energy is gaining more and more attention recently. This article reviews the state-of-the-art energy harvesting technology from the conversion of raindrop kinetic energy using piezoelectric transducers as well as its interface circuits for vibration-based energy harvesters. Performance of different types of piezoelectric harvesters in terms of power output, area power density and energy conversion efficiency are compared. Summaries of key problems and suggestions on the optimization of the performance of the piezoelectric harvesters are also provided for future works.

  1. Total kinetic energy in four global eddying ocean circulation models and over 5000 current meter records

    KAUST Repository

    Scott, Robert B.; Arbic, Brian K.; Chassignet, Eric P.; Coward, Andrew C.; Maltrud, Mathew; Merryfield, William J.; Srinivasan, Ashwanth; Varghese, Anson

    2010-01-01

    We compare the total kinetic energy (TKE) in four global eddying ocean circulation simulations with a global dataset of over 5000, quality controlled, moored current meter records. At individual mooring sites, there was considerable scatter between

  2. Turbulent kinetic energy balance measurements in the wake of a low-pressure turbine blade

    International Nuclear Information System (INIS)

    Sideridis, A.; Yakinthos, K.; Goulas, A.

    2011-01-01

    The turbulent kinetic energy budget in the wake generated by a high lift, low-pressure two-dimensional blade cascade of the T106 profile was investigated experimentally using hot-wire anemometry. The purpose of this study is to examine the transport mechanism of the turbulent kinetic energy and provide validation data for turbulence modeling. Point measurements were conducted on a high spatial resolution, two-dimensional grid that allowed precise derivative calculations. Positioning of the probe was achieved using a high accuracy traversing mechanism. The turbulent kinetic energy (TKE) convection, production, viscous diffusion and turbulent diffusion were all obtained directly from experimental measurements. Dissipation and pressure diffusion were calculated indirectly using techniques presented and validated by previous investigators. Results for all terms of the turbulent kinetic energy budget are presented and discussed in detail in the present work.

  3. Seasonal variability in the vertical current structure and kinetic energy in the Central Indian Ocean Basin

    Digital Repository Service at National Institute of Oceanography (India)

    Murty, V.S.N.; Savin, M.; RameshBabu, V.; Suryanarayana, A.

    apart, indicates the existence of anticyclonic gyral circulation. The depth variation of kinetic energy (KE) emphasises the bottom intensification of currents with minimum KE at deeper depths followed by relatively higher KE at abyssal depths...

  4. Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients

    Science.gov (United States)

    Shiozaki, Toru; Győrffy, Werner; Celani, Paolo; Werner, Hans-Joachim

    2011-08-01

    The extended multireference quasi-degenerate perturbation theory, proposed by Granovsky [J. Chem. Phys. 134, 214113 (2011)], is combined with internally contracted multi-state complete active space second-order perturbation theory (XMS-CASPT2). The first-order wavefunction is expanded in terms of the union of internally contracted basis functions generated from all the reference functions, which guarantees invariance of the theory with respect to unitary rotations of the reference functions. The method yields improved potentials in the vicinity of avoided crossings and conical intersections. The theory for computing nuclear energy gradients for MS-CASPT2 and XMS-CASPT2 is also presented and the first implementation of these gradient methods is reported. A number of illustrative applications of the new methods are presented.

  5. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    Energy Technology Data Exchange (ETDEWEB)

    Vos, M. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Marmitt, G. G. [Atomic and Molecular Physics Laboratories, Research School of Physics and Engineering, Australian National University, Canberra ACT (Australia); Instituto de Fisica da Universidade Federal do Rio Grande do Sul, Avenida Bento Goncalves 9500, 91501-970 Porto Alegre, RS (Brazil); Finkelstein, Y. [Nuclear Research Center — Negev, Beer-Sheva 84190 (Israel); Moreh, R. [Physics Department, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel)

    2015-09-14

    Reflection electron energy loss spectra from some insulating materials (CaCO{sub 3}, Li{sub 2}CO{sub 3}, and SiO{sub 2}) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO{sub 2}, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E{sub gap}){sup 1.5}. For CaCO{sub 3}, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li{sub 2}CO{sub 3} (7.5 eV) is the first experimental estimate.

  6. Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

    International Nuclear Information System (INIS)

    Vos, M.; Marmitt, G. G.; Finkelstein, Y.; Moreh, R.

    2015-01-01

    Reflection electron energy loss spectra from some insulating materials (CaCO 3 , Li 2 CO 3 , and SiO 2 ) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO 2 , good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E gap ) 1.5 . For CaCO 3 , the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li 2 CO 3 (7.5 eV) is the first experimental estimate

  7. Approach to kinetic energy density functionals: Nonlocal terms with the structure of the von Weizsaecker functional

    International Nuclear Information System (INIS)

    Garcia-Aldea, David; Alvarellos, J. E.

    2008-01-01

    We propose a kinetic energy density functional scheme with nonlocal terms based on the von Weizsaecker functional, instead of the more traditional approach where the nonlocal terms have the structure of the Thomas-Fermi functional. The proposed functionals recover the exact kinetic energy and reproduce the linear response function of homogeneous electron systems. In order to assess their quality, we have tested the total kinetic energies as well as the kinetic energy density for atoms. The results show that these nonlocal functionals give as good results as the most sophisticated functionals in the literature. The proposed scheme for constructing the functionals means a step ahead in the field of fully nonlocal kinetic energy functionals, because they are capable of giving better local behavior than the semilocal functionals, yielding at the same time accurate results for total kinetic energies. Moreover, the functionals enjoy the possibility of being evaluated as a single integral in momentum space if an adequate reference density is defined, and then quasilinear scaling for the computational cost can be achieved

  8. Kinetic energy definition in velocity Verlet integration for accurate pressure evaluation

    Science.gov (United States)

    Jung, Jaewoon; Kobayashi, Chigusa; Sugita, Yuji

    2018-04-01

    In molecular dynamics (MD) simulations, a proper definition of kinetic energy is essential for controlling pressure as well as temperature in the isothermal-isobaric condition. The virial theorem provides an equation that connects the average kinetic energy with the product of particle coordinate and force. In this paper, we show that the theorem is satisfied in MD simulations with a larger time step and holonomic constraints of bonds, only when a proper definition of kinetic energy is used. We provide a novel definition of kinetic energy, which is calculated from velocities at the half-time steps (t - Δt/2 and t + Δt/2) in the velocity Verlet integration method. MD simulations of a 1,2-dispalmitoyl-sn-phosphatidylcholine (DPPC) lipid bilayer and a water box using the kinetic energy definition could reproduce the physical properties in the isothermal-isobaric condition properly. We also develop a multiple time step (MTS) integration scheme with the kinetic energy definition. MD simulations with the MTS integration for the DPPC and water box systems provided the same quantities as the velocity Verlet integration method, even when the thermostat and barostat are updated less frequently.

  9. Kinetic energy definition in velocity Verlet integration for accurate pressure evaluation.

    Science.gov (United States)

    Jung, Jaewoon; Kobayashi, Chigusa; Sugita, Yuji

    2018-04-28

    In molecular dynamics (MD) simulations, a proper definition of kinetic energy is essential for controlling pressure as well as temperature in the isothermal-isobaric condition. The virial theorem provides an equation that connects the average kinetic energy with the product of particle coordinate and force. In this paper, we show that the theorem is satisfied in MD simulations with a larger time step and holonomic constraints of bonds, only when a proper definition of kinetic energy is used. We provide a novel definition of kinetic energy, which is calculated from velocities at the half-time steps (t - Δt/2 and t + Δt/2) in the velocity Verlet integration method. MD simulations of a 1,2-dispalmitoyl-sn-phosphatidylcholine (DPPC) lipid bilayer and a water box using the kinetic energy definition could reproduce the physical properties in the isothermal-isobaric condition properly. We also develop a multiple time step (MTS) integration scheme with the kinetic energy definition. MD simulations with the MTS integration for the DPPC and water box systems provided the same quantities as the velocity Verlet integration method, even when the thermostat and barostat are updated less frequently.

  10. Exploration of zeroth-order wavefunctions and energies as a first step toward intramolecular symmetry-adapted perturbation theory

    Science.gov (United States)

    Gonthier, Jérôme F.; Corminboeuf, Clémence

    2014-04-01

    Non-covalent interactions occur between and within all molecules and have a profound impact on structural and electronic phenomena in chemistry, biology, and material science. Understanding the nature of inter- and intramolecular interactions is essential not only for establishing the relation between structure and properties, but also for facilitating the rational design of molecules with targeted properties. These objectives have motivated the development of theoretical schemes decomposing intermolecular interactions into physically meaningful terms. Among the various existing energy decomposition schemes, Symmetry-Adapted Perturbation Theory (SAPT) is one of the most successful as it naturally decomposes the interaction energy into physical and intuitive terms. Unfortunately, analogous approaches for intramolecular energies are theoretically highly challenging and virtually nonexistent. Here, we introduce a zeroth-order wavefunction and energy, which represent the first step toward the development of an intramolecular variant of the SAPT formalism. The proposed energy expression is based on the Chemical Hamiltonian Approach (CHA), which relies upon an asymmetric interpretation of the electronic integrals. The orbitals are optimized with a non-hermitian Fock matrix based on two variants: one using orbitals strictly localized on individual fragments and the other using canonical (delocalized) orbitals. The zeroth-order wavefunction and energy expression are validated on a series of prototypical systems. The computed intramolecular interaction energies demonstrate that our approach combining the CHA with strictly localized orbitals achieves reasonable interaction energies and basis set dependence in addition to producing intuitive energy trends. Our zeroth-order wavefunction is the primary step fundamental to the derivation of any perturbation theory correction, which has the potential to truly transform our understanding and quantification of non

  11. Exploration of zeroth-order wavefunctions and energies as a first step toward intramolecular symmetry-adapted perturbation theory

    International Nuclear Information System (INIS)

    Gonthier, Jérôme F.; Corminboeuf, Clémence

    2014-01-01

    Non-covalent interactions occur between and within all molecules and have a profound impact on structural and electronic phenomena in chemistry, biology, and material science. Understanding the nature of inter- and intramolecular interactions is essential not only for establishing the relation between structure and properties, but also for facilitating the rational design of molecules with targeted properties. These objectives have motivated the development of theoretical schemes decomposing intermolecular interactions into physically meaningful terms. Among the various existing energy decomposition schemes, Symmetry-Adapted Perturbation Theory (SAPT) is one of the most successful as it naturally decomposes the interaction energy into physical and intuitive terms. Unfortunately, analogous approaches for intramolecular energies are theoretically highly challenging and virtually nonexistent. Here, we introduce a zeroth-order wavefunction and energy, which represent the first step toward the development of an intramolecular variant of the SAPT formalism. The proposed energy expression is based on the Chemical Hamiltonian Approach (CHA), which relies upon an asymmetric interpretation of the electronic integrals. The orbitals are optimized with a non-hermitian Fock matrix based on two variants: one using orbitals strictly localized on individual fragments and the other using canonical (delocalized) orbitals. The zeroth-order wavefunction and energy expression are validated on a series of prototypical systems. The computed intramolecular interaction energies demonstrate that our approach combining the CHA with strictly localized orbitals achieves reasonable interaction energies and basis set dependence in addition to producing intuitive energy trends. Our zeroth-order wavefunction is the primary step fundamental to the derivation of any perturbation theory correction, which has the potential to truly transform our understanding and quantification of non

  12. Neutron emission effects on final fragments mass and kinetic energy distribution from low energy fission of 234U

    International Nuclear Information System (INIS)

    Montoya, M.; Rojas, J.; Lobato, I.

    2008-01-01

    The standard deviation of the final kinetic energy distribution (σ e ) as a function of mass of final fragments (m) from low energy fission of 234 U, measured with the Lohengrin spectrometer by Belhafaf et al., presents a peak around m = 109 and another around m = 122. The authors attribute the first peak to the evaporation of a large number of neutrons around the corresponding mass number, i.e. there is no peak on the standard deviation of the primary kinetic energy distribution (σ E ) as a function of primary fragment mass (A). The second peak is attributed to a real peak on σ E (A). However, theoretical calculations related to primary distributions made by H.R. Faust and Z. Bao do not suggest any peak on σ E (A). In order to clarify this apparent controversy, we have made a numerical experiment in which the masses and the kinetic energy of final fragments are calculated, assuming an initial distribution of the kinetic energy without structures on the standard deviation as function of fragment mass. As a result we obtain a pronounced peak on σ e (m) curve around m = 109, a depletion from m = 121 to m = 129, and an small peak around m = 122, which is not as great as that measured by Belhafaf et al. Our simulation also reproduces the experimental results on the yield of the final mass Y(m), the average number of emitted neutrons as a function of the provisional mass (calculated from the values of the final kinetic energy of the complementary fragments) and the average value of fragment kinetic energy as a function of the final mass. From our results we conclude that there are no peaks on the σ E (A) curve, and the observed peaks on σ e (m) are due to the emitted neutron multiplicity and the variation of the average fragment kinetic energy as a function of primary fragment mass. (Author)

  13. Statistical mechanics of light elements at high pressure. VII. A perturbative free energy for arbitrary mixtures of H and He

    International Nuclear Information System (INIS)

    Hubbard, W.B.; Dewitt, H.E.

    1985-01-01

    A model free energy is presented which accurately represents results from 45 high-precision Monte Carlo calculations of the thermodynamics of hydrogen-helium mixtures at pressures of astrophysical and planetophysical interest. The free energy is calculated using free-electron perturbation theory (dielectric function theory), and is an extension of the expression given in an earlier paper in this series. However, it fits the Monte Carlo results more accurately, and is valid for the full range of compositions from pure hydrogen to pure helium. Using the new free energy, the phase diagram of mixtures of liquid metallic hydrogen and helium is calculated and compared with earlier results. Sample results for mixing volumes are also presented, and the new free energy expression is used to compute a theoretical Jovian adiabat and compare the adiabat with results from three-dimensional Thomas-Fermi-Dirac theory. The present theory gives slightly higher densities at pressures of about 10 megabars. 20 references

  14. Statistical mechanics of light elements at high pressure. VII - A perturbative free energy for arbitrary mixtures of H and He

    Science.gov (United States)

    Hubbard, W. B.; Dewitt, H. E.

    1985-01-01

    A model free energy is presented which accurately represents results from 45 high-precision Monte Carlo calculations of the thermodynamics of hydrogen-helium mixtures at pressures of astrophysical and planetophysical interest. The free energy is calculated using free-electron perturbation theory (dielectric function theory), and is an extension of the expression given in an earlier paper in this series. However, it fits the Monte Carlo results more accurately, and is valid for the full range of compositions from pure hydrogen to pure helium. Using the new free energy, the phase diagram of mixtures of liquid metallic hydrogen and helium is calculated and compared with earlier results. Sample results for mixing volumes are also presented, and the new free energy expression is used to compute a theoretical Jovian adiabat and compare the adiabat with results from three-dimensional Thomas-Fermi-Dirac theory. The present theory gives slightly higher densities at pressures of about 10 megabars.

  15. Perturbation of the energy loss spectra for an accelerated electron beam due to the photo injector exit

    CERN Document Server

    Salah, W

    2003-01-01

    The influence of the photo-injector exit hall on the energy loss for an accelerated electron beam is investigated, by calculating the total energy transferred from the electrons to the wakefields, which are driven by the beam. The obtained energy loss is compared to those previously obtained for a 'pill-box' cavity. This comparison shows that the influence of this hall, in terms of energy loss, varies over the beam length. It is strongest in the middle of the beam and decreases towards both ends. In consequence of this perturbation, the center of the beam is displaced from its initial position during the first phase (t < 200 ps) where the exit aperture has no effect to a new equilibrium position which takes place at 200 < t < 250 ps. (author)

  16. The kinetic energy of the vortex and pinning force in high-temperature superconductors

    International Nuclear Information System (INIS)

    Boiko, J.; Khar'kovskij Gosudarstvennyj Univ.; Majewski, P.; Aldinger, F.

    1995-01-01

    It is known that the total magnetic energy of the vortex consists of two parts: the kinetic energy, E k , which is connected with the supercurrents which circulate around the vortex, and its own magnetic energy, E mo , which is connected with the real magnetic field. Therefore, the characteristic linear spacing which corresponds to the maximum change of the kinetic energy is not related with the magnetic penetration depth, λ, but with another characteristic spacing R. Considering this fact, the idea of the nature of F p of different defects which are greater than ξ, but smaller than λ, can be modified. (orig.)

  17. Work fluctuation theorems and free energy from kinetic theory

    Science.gov (United States)

    Brey, J. Javier; Ruiz-Montero, M. J.; Domínguez, Álvaro

    2018-01-01

    The formulation of the first and second principles of thermodynamics for a particle in contact with a heat bath and submitted to an external force is analyzed, by means of the Boltzmann-Lorentz kinetic equation. The possible definitions of the thermodynamic quantities are discussed in the light of the H theorem verified by the distribution of the particle. The work fluctuation relations formulated by Bochkov and Kuzovlev, and by Jarzynski, respectively, are derived from the kinetic equation. In addition, particle simulations using both the direct simulation Monte Carlo method and molecular dynamics, are used to investigate the practical accuracy of the results. Work distributions are also measured, and they turn out to be rather complex. On the other hand, they seem to depend very little, if any, on the interaction potential between the intruder and the bath.

  18. Recursive solutions for multi-group neutron kinetics diffusion equations in homogeneous three-dimensional rectangular domains with time dependent perturbations

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, Claudio Z. [Universidade Federal de Pelotas, Capao do Leao (Brazil). Programa de Pos Graduacao em Modelagem Matematica; Bodmann, Bardo E.J.; Vilhena, Marco T. [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Programa de Pos-graduacao em Engenharia Mecanica; Barros, Ricardo C. [Universidade do Estado do Rio de Janeiro, Nova Friburgo, RJ (Brazil). Inst. Politecnico

    2014-12-15

    In the present work we solve in analytical representation the three dimensional neutron kinetic diffusion problem in rectangular Cartesian geometry for homogeneous and bounded domains for any number of energy groups and precursor concentrations. The solution in analytical representation is constructed using a hierarchical procedure, i.e. the original problem is reduced to a problem previously solved by the authors making use of a combination of the spectral method and a recursive decomposition approach. Time dependent absorption cross sections of the thermal energy group are considered with step, ramp and Chebyshev polynomial variations. For these three cases, we present numerical results and discuss convergence properties and compare our results to those available in the literature.

  19. Background history and cosmic perturbations for a general system of self-conserved dynamical dark energy and matter

    International Nuclear Information System (INIS)

    Gómez-Valent, Adrià; Karimkhani, Elahe; Solà, Joan

    2015-01-01

    We determine the Hubble expansion and the general cosmic perturbation equations for a general system consisting of self-conserved matter, ρ m , and self-conserved dark energy (DE), ρ D . While at the background level the two components are non-interacting, they do interact at the perturbations level. We show that the coupled system of matter and DE perturbations can be transformed into a single, third order, matter perturbation equation, which reduces to the (derivative of the) standard one in the case that the DE is just a cosmological constant. As a nontrivial application we analyze a class of dynamical models whose DE density ρ D (H) consists of a constant term, C 0 , and a series of powers of the Hubble rate. These models were previously analyzed from the point of view of dynamical vacuum models, but here we treat them as self-conserved DE models with a dynamical equation of state. We fit them to the wealth of expansion history and linear structure formation data and compare their fit quality with that of the concordance ΛCDM model. Those with C 0 =0 include the so-called ''entropic-force'' and ''QCD-ghost'' DE models, as well as the pure linear model ρ D ∼H, all of which appear strongly disfavored. The models with C 0 ≠0 , in contrast, emerge as promising dynamical DE candidates whose phenomenological performance is highly competitive with the rigid Λ-term inherent to the ΛCDM

  20. Background history and cosmic perturbations for a general system of self-conserved dynamical dark energy and matter

    Energy Technology Data Exchange (ETDEWEB)

    Gómez-Valent, Adrià; Karimkhani, Elahe; Solà, Joan, E-mail: adriagova@ecm.ub.edu, E-mail: e.karimkhani91@basu.ac.ir, E-mail: sola@ecm.ub.edu [High Energy Physics Group, Dept. ECM, and Institut de Ciències del Cosmos (ICC), Universitat de Barcelona, Av. Diagonal 647, E-08028 Barcelona, Catalonia (Spain)

    2015-12-01

    We determine the Hubble expansion and the general cosmic perturbation equations for a general system consisting of self-conserved matter, ρ{sub m}, and self-conserved dark energy (DE), ρ{sub D}. While at the background level the two components are non-interacting, they do interact at the perturbations level. We show that the coupled system of matter and DE perturbations can be transformed into a single, third order, matter perturbation equation, which reduces to the (derivative of the) standard one in the case that the DE is just a cosmological constant. As a nontrivial application we analyze a class of dynamical models whose DE density ρ{sub D}(H) consists of a constant term, C{sub 0}, and a series of powers of the Hubble rate. These models were previously analyzed from the point of view of dynamical vacuum models, but here we treat them as self-conserved DE models with a dynamical equation of state. We fit them to the wealth of expansion history and linear structure formation data and compare their fit quality with that of the concordance ΛCDM model. Those with C{sub 0}=0 include the so-called ''entropic-force'' and ''QCD-ghost'' DE models, as well as the pure linear model ρ{sub D}∼H, all of which appear strongly disfavored. The models with C{sub 0}≠0 , in contrast, emerge as promising dynamical DE candidates whose phenomenological performance is highly competitive with the rigid Λ-term inherent to the ΛCDM.

  1. A non-perturbative exploration of the high energy regime in Nf=3 QCD. ALPHA Collaboration

    Science.gov (United States)

    Dalla Brida, Mattia; Fritzsch, Patrick; Korzec, Tomasz; Ramos, Alberto; Sint, Stefan; Sommer, Rainer

    2018-05-01

    Using continuum extrapolated lattice data we trace a family of running couplings in three-flavour QCD over a large range of scales from about 4 to 128 GeV. The scale is set by the finite space time volume so that recursive finite size techniques can be applied, and Schrödinger functional (SF) boundary conditions enable direct simulations in the chiral limit. Compared to earlier studies we have improved on both statistical and systematic errors. Using the SF coupling to implicitly define a reference scale 1/L_0≈ 4 GeV through \\bar{g}^2(L_0) =2.012, we quote L_0 Λ ^{N_f=3}_{{\\overline{MS}}} =0.0791(21). This error is dominated by statistics; in particular, the remnant perturbative uncertainty is negligible and very well controlled, by connecting to infinite renormalization scale from different scales 2^n/L_0 for n=0,1,\\ldots ,5. An intermediate step in this connection may involve any member of a one-parameter family of SF couplings. This provides an excellent opportunity for tests of perturbation theory some of which have been published in a letter (ALPHA collaboration, M. Dalla Brida et al. in Phys Rev Lett 117(18):182001, 2016). The results indicate that for our target precision of 3 per cent in L_0 Λ ^{N_f=3}_{{\\overline{MS}}}, a reliable estimate of the truncation error requires non-perturbative data for a sufficiently large range of values of α _s=\\bar{g}^2/(4π ). In the present work we reach this precision by studying scales that vary by a factor 2^5= 32, reaching down to α _s≈ 0.1. We here provide the details of our analysis and an extended discussion.

  2. Energy Transfer Kinetics and Dynamics of Relevance to Iodine Lasers

    National Research Council Canada - National Science Library

    Heaven, Michael C

    2001-01-01

    ...). Energy transfer between I(2 P(1/2)) and 02(X) has been studied in detail. Rate constants for electronic energy transfer and nuclear spin relaxation were measured over the temperature range from 150-300K...

  3. Bounds on poloidal kinetic energy in plane layer convection

    Science.gov (United States)

    Tilgner, A.

    2017-12-01

    A numerical method is presented that conveniently computes upper bounds on heat transport and poloidal energy in plane layer convection for infinite and finite Prandtl numbers. The bounds obtained for the heat transport coincide with earlier results. These bounds imply upper bounds for the poloidal energy, which follow directly from the definitions of dissipation and energy. The same constraints used for computing upper bounds on the heat transport lead to improved bounds for the poloidal energy.

  4. Experimental evidence of off-diagonal transport term and the discrepancy between energy/particle balance and perturbation analyses

    International Nuclear Information System (INIS)

    Nagashima, Keisuke; Fukuda, Takeshi

    1991-12-01

    Evidence of temperature gradient driven particle flux was observed from the sawtooth induced density propagation phenomenon in JT-60. This off-diagonal particle flux was confirmed using the numerical calculation of measured chord integrated electron density. It was shown that the discrepancies between thermal and particle diffusivities estimated from the perturbation method and energy/particle balance analysis can be explained by considering the flux equations with off-diagonal transport terms. These flux equations were compared with the E x B convective fluxes in an electro-static drift wave instability and it was found that the E x B fluxes are consistent with several experimental observations. (author)

  5. Sub-horizon evolution of cold dark matter perturbations through dark matter-dark energy equivalence epoch

    International Nuclear Information System (INIS)

    Piattella, O.F.; Martins, D.L.A.; Casarini, L.

    2014-01-01

    We consider a cosmological model of the late universe constituted by standard cold dark matter plus a dark energy component with constant equation of state w and constant effective speed of sound. By neglecting fluctuations in the dark energy component, we obtain an equation describing the evolution of sub-horizon cold dark matter perturbations through the epoch of dark matter-dark energy equality. We explore its analytic solutions and calculate an exact w-dependent correction for the dark matter growth function, logarithmic growth function and growth index parameter through the epoch considered. We test our analytic approximation with the numerical solution and find that the discrepancy is less than 1% for 0k = during the cosmic evolution up to a = 100

  6. Coupled-Sturmian and perturbative treatments of electron transfer and ionization in high-energy p-He+ collisions

    Science.gov (United States)

    Winter, Thomas G.; Alston, Steven G.

    1992-02-01

    Cross sections have been determined for electron transfer and ionization in collisions between protons and He+ ions at proton energies from several hundred kilo-electron-volts to 2 MeV. A coupled-Sturmian approach is taken, extending the work of Winter [Phys. Rev. A 35, 3799 (1987)] and Stodden et al. [Phys. Rev. A 41, 1281 (1990)] to high energies where perturbative approaches are expected to be valid. An explicit connection is made with the first-order Born approximation for ionization and the impulse version of the distorted, strong-potential Born approximation for electron transfer. The capture cross section is shown to be affected by the presence of target basis functions of positive energy near v2/2, corresponding to the Thomas mechanism.

  7. Coupled-Sturmian and perturbative treatments of electron transfer and ionization in high-energy p-He+ collisions

    International Nuclear Information System (INIS)

    Winter, T.G.; Alston, S.G.

    1992-01-01

    Cross sections have been determined for electron transfer and ionization in collisions between protons and He + ions at proton energies from several hundred kilo-electron-volts to 2 MeV. A coupled-Sturmian approach is taken, extending the work of Winter [Phys. Rev. A 35, 3799 (1987)] and Stodden et al. [Phys. Rev. A 41, 1281 (1990)] to high energies where perturbative approaches are expected to be valid. An explicit connection is made with the first-order Born approximation for ionization and the impulse version of the distorted, strong-potential Born approximation for electron transfer. The capture cross section is shown to be affected by the presence of target basis functions of positive energy near v 2 /2, corresponding to the Thomas mechanism

  8. A static analysis method to determine the availability of kinetic energy from wind turbines

    NARCIS (Netherlands)

    Rawn, B.G.; Gibescu, M.; Kling, W.L.

    2010-01-01

    This paper introduces definitions and an analysis method for estimating how much kinetic energy can be made available for inertial response from a wind turbine over a year, and how much energy capture must be sacrificed to do so. The analysis is based on the static characteristics of wind turbines,

  9. Assessment of Kinetic Tidal Energy Resources Using SELFE

    Directory of Open Access Journals (Sweden)

    Manasa Ranjan Behera

    2014-09-01

    Full Text Available An investigation is carried out to study the theoretical tidal stream energy resource in the Singapore Strait to support the search for renewable energy in the effort to reduce the carbon footprints in the Southeast Asia. The tidal hydrodynamics in the Singapore Strait has been simulated using a Semi-implicit Eulerian-Lagrangian Finite-Element (SELFE model solving the 3D shallow water equations with Boussinesq approximations. Potential sites, with high tidal current (2.5 m/s and suitable for Tidal Energy Converter (TEC array installation to generate sustainable energy, have been identified. Further, various operational factors for installation of Tidal Energy Converters are considered before computing the theoretical power output for a typical TEC array. An approximate estimation of the possible theoretical power extraction from a TEC array shows an energy potential of up to 4.36% of the total energy demand of Singapore in 2011. Thus, the study suggests a detailed investigation of potential sites to quantify the total tidal stream energy potential in the Singapore Strait.

  10. Nonlocal exchange and kinetic-energy density functionals for electronic systems

    International Nuclear Information System (INIS)

    Glossman, M.D.; Rubio, A.; Balbas, L.C.; Alonso, J.A.

    1992-01-01

    The nonlocal weighted density approximation (WDA) to the exchange and kinetic-energy functionals of many electron systems proposed several years ago by Alonso and Girifalco is used to compute, within the framework of density functional theory, the ground-state electronic density and total energy of noble gas atoms and of neutral jellium-like sodium clusters containing up to 500 atoms. These results are compared with analogous calculations using the well known Thomas-Fermi-Weizsacker-Dirac (TFWD) approximations for the kinetic (TFW) and exchange (D) energy density functionals. An outstanding improvement of the total and exchange energies, of the density at the nucleus and of the expectation values is obtained for atoms within the WDA scheme. For sodium clusters the authors notice a sizeable contribution of the nonlocal effects to the total energy and to the density profiles. In the limit of very large clusters these effects should affect the surface energy of the bulk metal

  11. On the cooperativity of association and reference energy scales in thermodynamic perturbation theory

    Science.gov (United States)

    Marshall, Bennett D.

    2016-11-01

    Equations of state for hydrogen bonding fluids are typically described by two energy scales. A short range highly directional hydrogen bonding energy scale as well as a reference energy scale which accounts for dispersion and orientationally averaged multi-pole attractions. These energy scales are always treated independently. In recent years, extensive first principles quantum mechanics calculations on small water clusters have shown that both hydrogen bond and reference energy scales depend on the number of incident hydrogen bonds of the water molecule. In this work, we propose a new methodology to couple the reference energy scale to the degree of hydrogen bonding in the fluid. We demonstrate the utility of the new approach by showing that it gives improved predictions of water-hydrocarbon mutual solubilities.

  12. Predicting rainfall erosivity by momentum and kinetic energy in Mediterranean environment

    Science.gov (United States)

    Carollo, Francesco G.; Ferro, Vito; Serio, Maria A.

    2018-05-01

    Rainfall erosivity is an index that describes the power of rainfall to cause soil erosion and it is used around the world for assessing and predicting soil loss on agricultural lands. Erosivity can be represented in terms of both rainfall momentum and kinetic energy, both calculated per unit time and area. Contrasting results on the representativeness of these two variables are available: some authors stated that momentum and kinetic energy are practically interchangeable in soil loss estimation while other found that kinetic energy is the most suitable expression of rainfall erosivity. The direct and continuous measurements of momentum and kinetic energy by a disdrometer allow also to establish a relationship with rainfall intensity at the study site. At first in this paper a comparison between the momentum-rainfall intensity relationships measured at Palermo and El Teularet by an optical disdrometer is presented. For a fixed rainfall intensity the measurements showed that the rainfall momentum values measured at the two experimental sites are not coincident. However both datasets presented a threshold value of rainfall intensity over which the rainfall momentum assumes a quasi-constant value. Then the reliability of a theoretically deduced relationship, linking momentum, rainfall intensity and median volume diameter, is positively verified using measured raindrop size distributions. An analysis to assess which variable, momentum or kinetic energy per unit area and time, is the best predictor of erosivity in Italy and Spain was also carried out. This investigation highlighted that the rainfall kinetic energy per unit area and time can be substituted by rainfall momentum as index for estimating the rainfall erosivity, and this result does not depend on the site where precipitation occurs. Finally, rainfall intensity measurements and soil loss data collected from the bare plots equipped at Sparacia experimental area were used to verify the reliability of some

  13. Connecting the kinetics and energy landscape of tRNA translocation on the ribosome.

    Directory of Open Access Journals (Sweden)

    Paul C Whitford

    Full Text Available Functional rearrangements in biomolecular assemblies result from diffusion across an underlying energy landscape. While bulk kinetic measurements rely on discrete state-like approximations to the energy landscape, single-molecule methods can project the free energy onto specific coordinates. With measures of the diffusion, one may establish a quantitative bridge between state-like kinetic measurements and the continuous energy landscape. We used an all-atom molecular dynamics simulation of the 70S ribosome (2.1 million atoms; 1.3 microseconds to provide this bridge for specific conformational events associated with the process of tRNA translocation. Starting from a pre-translocation configuration, we identified sets of residues that collectively undergo rotary rearrangements implicated in ribosome function. Estimates of the diffusion coefficients along these collective coordinates for translocation were then used to interconvert between experimental rates and measures of the energy landscape. This analysis, in conjunction with previously reported experimental rates of translocation, provides an upper-bound estimate of the free-energy barriers associated with translocation. While this analysis was performed for a particular kinetic scheme of translocation, the quantitative framework is general and may be applied to energetic and kinetic descriptions that include any number of intermediates and transition states.

  14. Matrix elements of vibration kinetic energy operator of tetrahedral molecules in non-orthogonal-dependent coordinates

    Science.gov (United States)

    Protasevich, Alexander E.; Nikitin, Andrei V.

    2018-01-01

    In this work, we propose an algorithm for calculating the matrix elements of the kinetic energy operator for tetrahedral molecules. This algorithm uses the dependent six-angle coordinates (6A) and takes into account the full symmetry of molecules. Unlike A.V. Nikitin, M. Rey, and Vl. G. Tyuterev who operate with the kinetic energy operator only in Radau orthogonal coordinates, we consider a general case. The matrix elements are shown to be a sum of products of one-dimensional integrals.

  15. A singular perturbation limit of diffused interface energy with a fixed contact angle condition

    OpenAIRE

    Kagaya, Takashi; Tonegawa, Yoshihiro

    2016-01-01

    We study a general asymptotic behavior of critical points of a diffused interface energy with a fixed contact angle condition defined on a domain $\\Omega \\subset \\mathbb{R}^n$. We show that the limit varifold derived from the diffused energy satisfies a generalized contact angle condition on the boundary under a set of assumptions.

  16. Alternative separation of exchange and correlation energies in range-separated density-functional perturbation theory

    DEFF Research Database (Denmark)

    Cornaton, Y.; Stoyanova, A.; Jensen, Hans Jørgen Aagaard

    2013-01-01

    of the noninteracting Kohn-Sham one. When second-order corrections to the density are neglected, the energy expression reduces to a range-separated double-hybrid (RSDH) type of functional, RSDHf, where "f" stands for "full-range integrals" as the regular full-range interaction appears explicitly in the energy...

  17. Numerical simulation and decomposition of kinetic energy in the Central Mediterranean: insight on mesoscale circulation and energy conversion

    Directory of Open Access Journals (Sweden)

    R. Sorgente

    2011-08-01

    Full Text Available The spatial and temporal variability of eddy and mean kinetic energy of the Central Mediterranean region has been investigated, from January 2008 to December 2010, by mean of a numerical simulation mainly to quantify the mesoscale dynamics and their relationships with physical forcing. In order to understand the energy redistribution processes, the baroclinic energy conversion has been analysed, suggesting hypotheses about the drivers of the mesoscale activity in this area. The ocean model used is based on the Princeton Ocean Model implemented at 1/32° horizontal resolution. Surface momentum and buoyancy fluxes are interactively computed by mean of standard bulk formulae using predicted model Sea Surface Temperature and atmospheric variables provided by the European Centre for Medium Range Weather Forecast operational analyses. At its lateral boundaries the model is one-way nested within the Mediterranean Forecasting System operational products.

    The model domain has been subdivided in four sub-regions: Sardinia channel and southern Tyrrhenian Sea, Sicily channel, eastern Tunisian shelf and Libyan Sea. Temporal evolution of eddy and mean kinetic energy has been analysed, on each of the four sub-regions, showing different behaviours. On annual scales and within the first 5 m depth, the eddy kinetic energy represents approximately the 60 % of the total kinetic energy over the whole domain, confirming the strong mesoscale nature of the surface current flows in this area. The analyses show that the model well reproduces the path and the temporal behaviour of the main known sub-basin circulation features. New mesoscale structures have been also identified, from numerical results and direct observations, for the first time as the Pantelleria Vortex and the Medina Gyre.

    The classical kinetic energy decomposition (eddy and mean allowed to depict and to quantify the permanent and fluctuating parts of the circulation in the region, and

  18. Evaluation of upper and lower bounds to energy eigenvalues in Shoenberg's perturbation-theory ground state by means of partitioning technique

    International Nuclear Information System (INIS)

    Logrado, P.G.; Vianna, J.D.M.

    Upper and lower bounds for the energy eigenvalues is Schoenberg's perturbation-theory ground state are studied. After a review of the characteristic features of the partitioning techniques the perturbative expansion proposed by Schoenberg is generated from an exact operator equation. The upper and lower bounds for the ground state eigenvalue are derived by using reaction and wave operators concepts, the bracketing function and operator inequalities. (Author) [pt

  19. Kinetic energy storage of off-peak electricity

    International Nuclear Information System (INIS)

    Simpson, L.A.; Oldaker, I.E.; Stermscheg, J.

    1975-09-01

    The concept of using large flywheels to store off-peak electricity has been considered. The development of high strength composite materials has made possible improvements in the energy storage capacity of such devices. The problems involved in designing large flywheels and their economic advantages over alternative means of energy storage are discussed. The economic arguments are based on the present or near future capabilities and costs of structural composite materials. The flywheel costs turn out to be considerably higher than for many alternative schemes including advanced batteries, gas turbine generators and pumped storage schemes. (author)

  20. Assessment of Kinetic Tidal Energy Resources Using SELFE

    OpenAIRE

    Manasa Ranjan Behera; Pavel Tkalich

    2014-01-01

    An investigation is carried out to study the theoretical tidal stream energy resource in the Singapore Strait to support the search for renewable energy in the effort to reduce the carbon footprints in the Southeast Asia. The tidal hydrodynamics in the Singapore Strait has been simulated using a Semi-implicit Eulerian-Lagrangian Finite-Element (SELFE) model solving the 3D shallow water equations with Boussinesq approximations. Potential sites, with high tidal current (2.5 m/s) and suitable fo...

  1. The total kinetic energy release in the fast neutron-induced fission of {sup 232}Th

    Energy Technology Data Exchange (ETDEWEB)

    King, Jonathan; Yanez, Ricardo; Loveland, Walter; Barrett, J. Spencer; Oscar, Breland [Oregon State University, Dept. of Chemistry, Corvallis, OR (United States); Fotiades, Nikolaos; Tovesson, Fredrik; Young Lee, Hye [Los Alamos National Laboratory, Physics Division, Los Alamos, NM (United States)

    2017-12-15

    The post-emission total kinetic energy release (TKE) in the neutron-induced fission of {sup 232}Th was measured (using white spectrum neutrons from LANSCE) for neutron energies from E{sub n} = 3 to 91 MeV. In this energy range the average post-neutron total kinetic energy release decreases from 162.3 ± 0.3 at E{sub n} = 3 MeV to 154.9 ± 0.3 MeV at E{sub n} = 91 MeV. Analysis of the fission mass distributions indicates that the decrease in TKE with increasing neutron energy is a combination of increasing yields of symmetric fission (which has a lower associated TKE) and a decrease in the TKE release in asymmetric fission. (orig.)

  2. Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory

    Science.gov (United States)

    Győrffy, Werner; Knizia, Gerald; Werner, Hans-Joachim

    2017-12-01

    We present the theory and algorithms for computing analytical energy gradients for explicitly correlated second-order Møller-Plesset perturbation theory (MP2-F12). The main difficulty in F12 gradient theory arises from the large number of two-electron integrals for which effective two-body density matrices and integral derivatives need to be calculated. For efficiency, the density fitting approximation is used for evaluating all two-electron integrals and their derivatives. The accuracies of various previously proposed MP2-F12 approximations [3C, 3C(HY1), 3*C(HY1), and 3*A] are demonstrated by computing equilibrium geometries for a set of molecules containing first- and second-row elements, using double-ζ to quintuple-ζ basis sets. Generally, the convergence of the bond lengths and angles with respect to the basis set size is strongly improved by the F12 treatment, and augmented triple-ζ basis sets are sufficient to closely approach the basis set limit. The results obtained with the different approximations differ only very slightly. This paper is the first step towards analytical gradients for coupled-cluster singles and doubles with perturbative treatment of triple excitations, which will be presented in the second part of this series.

  3. Bio-kinetic energy harvesting using electroactive polymers

    Science.gov (United States)

    Slade, Jeremiah R.; Bowman, Jeremy; Kornbluh, Roy

    2012-06-01

    In hybrid vehicles, electric motors are used on each wheel to not only propel the car but also to decelerate the car by acting as generators. In the case of the human body, muscles spend about half of their time acting as a brake, absorbing energy, or doing what is known as negative work. Using dielectric elastomers it is possible to use the "braking" phases of walking to generate power without restricting or fatiguing the Warfighter. Infoscitex and SRI have developed and demonstrated methods for using electroactive polymers (EAPs) to tap into the negative work generated at the knee during the deceleration phase of the human gait cycle and convert it into electrical power that can be used to support wearable information systems, including display and communication technologies. The specific class of EAP that has been selected for these applications is termed dielectric elastomers. Because dielectric elastomers dissipate very little mechanical energy into heat, greater amounts of energy can be converted into electricity than by any other method. The long term vision of this concept is to have EAP energy harvesting cells located in components of the Warfighter ensemble, such as the boot uppers, knee pads and eventually even the clothing itself. By properly locating EAPs at these sites it will be possible to not only harvest power from the negative work phase but to actually reduce the amount of work done by the Warfighter's muscles during this phase, thereby reducing fatigue and minimizing the forces transmitted to the joints.

  4. Geometric scaling in ultrahigh-energy neutrino scattering and nonlinear perturbative QCD

    International Nuclear Information System (INIS)

    Machado, Magno V.T.

    2005-01-01

    It is shown that in ultrahigh-energy inelastic neutrino-nucleon(nucleus) scattering the cross sections for the boson-hadron(nucleus) reactions should exhibit geometric scaling on the single variable τ A =Q 2 /Q sat,A 2 . The dependence on energy and atomic number of the charged/neutral current cross sections are encoded in the saturation momentum Q sat,A . This fact allows an analytical computation of the neutrino scattering on nucleon/nucleus at high energies, providing a theoretical parameterization based on the scaling property

  5. Kinetic-energy induced smoothening and delay of epitaxial breakdown in pulsed-laser deposition

    International Nuclear Information System (INIS)

    Shin, Byungha; Aziz, Michael J.

    2007-01-01

    We have isolated the effect of kinetic energy of depositing species from the effect of flux pulsing during pulsed-laser deposition (PLD) on surface morphology evolution of Ge(001) homoepitaxy at low temperature (100 deg. C). Using a dual molecular beam epitaxy (MBE) PLD chamber, we compare morphology evolution from three different growth methods under identical experimental conditions except for the differing nature of the depositing flux: (a) PLD with average kinetic energy 300 eV (PLD-KE); (b) PLD with suppressed kinetic energy comparable to thermal evaporation energy (PLD-TH); and (c) MBE. The thicknesses at which epitaxial breakdown occurs are ranked in the order PLD-KE>MBE>PLD-TH; additionally, the surface is smoother in PLD-KE than in MBE. The surface roughness of the films grown by PLD-TH cannot be compared due to the early epitaxial breakdown. These results demonstrate convincingly that kinetic energy is more important than flux pulsing in the enhancement of epitaxial growth, i.e., the reduction in roughness and the delay of epitaxial breakdown

  6. Neutron emission effects on final fragments mass and kinetic energy distribution from low energy fission of {sup 234}U

    Energy Technology Data Exchange (ETDEWEB)

    Montoya, M.; Rojas, J. [Instituto Peruano de Energia Nuclear, Av. Canada 1470, Lima 41 (Peru); Lobato, I. [Facultad de Ciencias, Universidad Nacional de Ingenieria, Av. Tupac Amaru 210, Apartado Postal 31-139, Lima (Peru)]. e-mail: mmontoya@ipen.gob.pe

    2008-07-01

    The standard deviation of the final kinetic energy distribution ({sigma}{sub e}) as a function of mass of final fragments (m) from low energy fission of {sup 234}U, measured with the Lohengrin spectrometer by Belhafaf et al., presents a peak around m = 109 and another around m = 122. The authors attribute the first peak to the evaporation of a large number of neutrons around the corresponding mass number, i.e. there is no peak on the standard deviation of the primary kinetic energy distribution ({sigma}{sub E}) as a function of primary fragment mass (A). The second peak is attributed to a real peak on {sigma}{sub E}(A). However, theoretical calculations related to primary distributions made by H.R. Faust and Z. Bao do not suggest any peak on {sigma}{sub E}(A). In order to clarify this apparent controversy, we have made a numerical experiment in which the masses and the kinetic energy of final fragments are calculated, assuming an initial distribution of the kinetic energy without structures on the standard deviation as function of fragment mass. As a result we obtain a pronounced peak on {sigma}{sub e} (m) curve around m = 109, a depletion from m = 121 to m = 129, and an small peak around m = 122, which is not as great as that measured by Belhafaf et al. Our simulation also reproduces the experimental results on the yield of the final mass Y(m), the average number of emitted neutrons as a function of the provisional mass (calculated from the values of the final kinetic energy of the complementary fragments) and the average value of fragment kinetic energy as a function of the final mass. From our results we conclude that there are no peaks on the {sigma}{sub E} (A) curve, and the observed peaks on {sigma}{sub e} (m) are due to the emitted neutron multiplicity and the variation of the average fragment kinetic energy as a function of primary fragment mass. (Author)

  7. Assignment of Side-Chain Conformation Using Adiabatic Energy Mapping, Free Energy Perturbation, and Molecular Dynamic Simulations

    DEFF Research Database (Denmark)

    Frimurer, Thomas M.; Günther, Peter H.; Sørensen, Morten Dahl

    1999-01-01

    adiabatic mapping, conformational change, essentialdynamics, free energy simulations, Kunitz type inhibitor *ga3(VI)......adiabatic mapping, conformational change, essentialdynamics, free energy simulations, Kunitz type inhibitor *ga3(VI)...

  8. Energy Transfer and Dual Cascade in Kinetic Magnetized Plasma Turbulence

    International Nuclear Information System (INIS)

    Plunk, G. G.; Tatsuno, T.

    2011-01-01

    The question of how nonlinear interactions redistribute the energy of fluctuations across available degrees of freedom is of fundamental importance in the study of turbulence and transport in magnetized weakly collisional plasmas, ranging from space settings to fusion devices. In this Letter, we present a theory for the dual cascade found in such plasmas, which predicts a range of new behavior that distinguishes this cascade from that of neutral fluid turbulence. These phenomena are explained in terms of the constrained nature of spectral transfer in nonlinear gyrokinetics. Accompanying this theory are the first observations of these phenomena, obtained via direct numerical simulations using the gyrokinetic code AstroGK. The basic mechanisms that are found provide a framework for understanding the turbulent energy transfer that couples scales both locally and nonlocally.

  9. Energy Transfer and Dual Cascade in Kinetic Magnetized Plasma Turbulence

    Science.gov (United States)

    Plunk, G. G.; Tatsuno, T.

    2011-04-01

    The question of how nonlinear interactions redistribute the energy of fluctuations across available degrees of freedom is of fundamental importance in the study of turbulence and transport in magnetized weakly collisional plasmas, ranging from space settings to fusion devices. In this Letter, we present a theory for the dual cascade found in such plasmas, which predicts a range of new behavior that distinguishes this cascade from that of neutral fluid turbulence. These phenomena are explained in terms of the constrained nature of spectral transfer in nonlinear gyrokinetics. Accompanying this theory are the first observations of these phenomena, obtained via direct numerical simulations using the gyrokinetic code AstroGK. The basic mechanisms that are found provide a framework for understanding the turbulent energy transfer that couples scales both locally and nonlocally.

  10. FLYWHEEL BASED KINETIC ENERGY RECOVERY SYSTEMS (KERS) INTEGRATED IN VEHICLES

    OpenAIRE

    THOMAS MATHEWS; NISHANTH D

    2013-01-01

    Today, many hybrid electric vehicles have been developed in order to reduce the consumption of fossil fuels; unfortunately these vehicles require electrochemical batteries to store energy, with high costs as well as poor conversion efficiencies. By integrating flywheel hybrid systems, these drawbacks can be overcome and can potentially replace battery powered hybrid vehicles cost effectively. The paper will explain the engineering, mechanics of the flywheel system and it’s working in detail. ...

  11. An electrostatic storage ring for low kinetic energy electron collisions

    Energy Technology Data Exchange (ETDEWEB)

    Reddish, T J; Tessier, D R; Sullivan, M R; Thorn, P A [Department of Physics, University of Windsor, Windsor, N9B 3P4 (Canada); Hammond, P; Alderman, A J [School of Physics, CAMSP, University of Western Australia, Perth WA 6009 (Australia); Read, F H [School of Physics and Astronomy, University of Manchester, Manchester M13 9PL (United Kingdom)

    2009-11-01

    The criteria are presented for stable multiple orbits of charged particles in a race-track shaped storage ring and applied to an electrostatic system consisting of two hemispherical deflector analyzers (HDA) connected by two separate sets of cylindrical lenses. The results of charged particle simulations and the formal matrix theory, including aberrations in the energy-dispersive electrostatic 'prisms', are in good agreement with the observed experimental operating conditions for this Electron Recycling Spectrometer (ERS).

  12. Exploring the Effect of Climate Perturbations on Water Availability for Renewable Energy Development in the Indian Wells Valley, California

    Science.gov (United States)

    Rey, David M.

    Energy and water are connected through the water-use cycle (e.g. obtaining, transporting, and treating water) and thermoelectric energy generation, which converts heat to electricity via steam-driven turbines. As the United States implements more renewable energy technologies, quantifying the relationships between energy, water, and land-surface impacts of these implementations will provide policy makers the strengths and weaknesses of different renewable energy options. In this study, a MODFLOW model of the Indian Wells Valley (IWV), in California, was developed to capture the water, energy, and land-surface impacts of potential proposed 1) solar, 2) wind, and 3) biofuel implementations. The model was calibrated to pre-existing groundwater head data from 1985 to present to develop a baseline model before running two-year predictive scenarios for photovoltaic (PV), concentrating solar power (CSP), wind, and biofuel implementations. Additionally, the baseline model was perturbed by decreasing mountain front recharge values by 5%, 10%, and 15%, simulating potential future system perturbations under a changing climate. These potential future conditions were used to re-run each implementation scenario. Implementation scenarios were developed based on population, typical energy use per person, existing land-use and land-cover type within the IWV, and previously published values for water use, surface-area use, and energy-generation potential for each renewable fuel type. The results indicate that the quantity of water needed, localized drawdown from pumping water to meet implementation demands, and generation efficiency are strongly controlled by the fuel type, as well as the energy generating technology and thermoelectric technologies implemented. Specifically, PV and wind-turbine (WT) implementations required less than 1% of the estimated annual aquifer recharge, while technologies such as biofuels and CSP, which rely on thermoelectric generation, ranged from 3% to 20

  13. Kinetic energy and added mass of hydrodynamically interacting gas bubbles in liquid

    NARCIS (Netherlands)

    Kok, Jacobus B.W.

    1988-01-01

    By averaging the basic equations on microscale, expressions are derived for the effective added mass density and the kinetic energy density of a mixture of liquid and gas bubbles. Due to hydrodynamic interaction between the bubbles there appears to be a difference between the effective added mass

  14. Evidence for cluster shape effects on the kinetic energy spectrum in thermionic emission.

    Science.gov (United States)

    Calvo, F; Lépine, F; Baguenard, B; Pagliarulo, F; Concina, B; Bordas, C; Parneix, P

    2007-11-28

    Experimental kinetic energy release distributions obtained for the thermionic emission from C(n) (-) clusters, 10theory, these different features are analyzed and interpreted as the consequence of contrasting shapes in the daughter clusters; linear and nonlinear isomers have clearly distinct signatures. These results provide a novel indirect structural probe for atomic clusters associated with their thermionic emission spectra.

  15. Kinetic energy spectra, vertical resolution and dissipation in high-resolution atmospheric simulations.

    Science.gov (United States)

    Skamarock, W. C.

    2017-12-01

    We have performed week-long full-physics simulations with the MPAS global model at 15 km cell spacing using vertical mesh spacings of 800, 400, 200 and 100 meters in the mid-troposphere through the mid-stratosphere. We find that the horizontal kinetic energy spectra in the upper troposphere and stratosphere does not converge with increasing vertical resolution until we reach 200 meter level spacing. Examination of the solutions indicates that significant inertia-gravity waves are not vertically resolved at the lower vertical resolutions. Diagnostics from the simulations indicate that the primary kinetic energy dissipation results from the vertical mixing within the PBL parameterization and from the gravity-wave drag parameterization, with smaller but significant contributions from damping in the vertical transport scheme and from the horizontal filters in the dynamical core. Most of the kinetic energy dissipation in the free atmosphere occurs within breaking mid-latitude baroclinic waves. We will briefly review these results and their implications for atmospheric model configuration and for atmospheric dynamics, specifically that related to the dynamics associated with the mesoscale kinetic energy spectrum.

  16. Kinetic Energy from Supernova Feedback in High-resolution Galaxy Simulations

    Science.gov (United States)

    Simpson, Christine M.; Bryan, Greg L.; Hummels, Cameron; Ostriker, Jeremiah P.

    2015-08-01

    We describe a new method for adding a prescribed amount of kinetic energy to simulated gas modeled on a cartesian grid by directly altering grid cells’ mass and velocity in a distributed fashion. The method is explored in the context of supernova (SN) feedback in high-resolution (˜10 pc) hydrodynamic simulations of galaxy formation. Resolution dependence is a primary consideration in our application of the method, and simulations of isolated explosions (performed at different resolutions) motivate a resolution-dependent scaling for the injected fraction of kinetic energy that we apply in cosmological simulations of a 109 M⊙ dwarf halo. We find that in high-density media (≳50 cm-3) with coarse resolution (≳4 pc per cell), results are sensitive to the initial kinetic energy fraction due to early and rapid cooling. In our galaxy simulations, the deposition of small amounts of SN energy in kinetic form (as little as 1%) has a dramatic impact on the evolution of the system, resulting in an order-of-magnitude suppression of stellar mass. The overall behavior of the galaxy in the two highest resolution simulations we perform appears to converge. We discuss the resulting distribution of stellar metallicities, an observable sensitive to galactic wind properties, and find that while the new method demonstrates increased agreement with observed systems, significant discrepancies remain, likely due to simplistic assumptions that neglect contributions from SNe Ia and stellar winds.

  17. Balance of liquid-phase turbulence kinetic energy equation for bubble-train flow

    International Nuclear Information System (INIS)

    Ilic, Milica; Woerner, Martin; Cacuci, Dan Gabriel

    2004-01-01

    In this paper the investigation of bubble-induced turbulence using direct numerical simulation (DNS) of bubbly two-phase flow is reported. DNS computations are performed for a bubble-driven liquid motion induced by a regular train of ellipsoidal bubbles rising through an initially stagnant liquid within a plane vertical channel. DNS data are used to evaluate balance terms in the balance equation for the liquid phase turbulence kinetic energy. The evaluation comprises single-phase-like terms (diffusion, dissipation and production) as well as the interfacial term. Special emphasis is placed on the procedure for evaluation of interfacial quantities. Quantitative analysis of the balance equation for the liquid phase turbulence kinetic energy shows the importance of the interfacial term which is the only source term. The DNS results are further used to validate closure assumptions employed in modelling of the liquid phase turbulence kinetic energy transport in gas-liquid bubbly flows. In this context, the performance of respective closure relations in the transport equation for liquid turbulence kinetic energy within the two-phase k-ε and the two-phase k-l model is evaluated. (author)

  18. Perturbative QCD and jets

    International Nuclear Information System (INIS)

    Mueller, A.H.

    1986-03-01

    A brief review of some of the recent progress in perturbative QCD is given (heavy quark production, small-x physics, minijets and related topics, classical simulations in high energy reactions, coherence and the string effect)

  19. Kinetic-energy matrix elements for atomic Hylleraas-CI wave functions

    Energy Technology Data Exchange (ETDEWEB)

    Harris, Frank E., E-mail: harris@qtp.ufl.edu [Department of Physics, University of Utah, Salt Lake City, Utah 84112, USA and Quantum Theory Project, University of Florida, P.O. Box 118435, Gainesville, Florida 32611 (United States)

    2016-05-28

    Hylleraas-CI is a superposition-of-configurations method in which each configuration is constructed from a Slater-type orbital (STO) product to which is appended (linearly) at most one interelectron distance r{sub ij}. Computations of the kinetic energy for atoms by this method have been difficult due to the lack of formulas expressing these matrix elements for general angular momentum in terms of overlap and potential-energy integrals. It is shown here that a strategic application of angular-momentum theory, including the use of vector spherical harmonics, enables the reduction of all atomic kinetic-energy integrals to overlap and potential-energy matrix elements. The new formulas are validated by showing that they yield correct results for a large number of integrals published by other investigators.

  20. Effect of microwave-assisted heating on chalcopyrite leaching of kinetics, interface temperature and surface energy

    Directory of Open Access Journals (Sweden)

    Tong Wen

    Full Text Available The microwave-assisted leaching was a new approach to intensify the copper recovery from chalcopyrite by hydrometallurgy. In this work, the effect of microwave-assisted heating on chalcopyrite leaching of kinetics, interfacial reaction temperature and surface energy were investigated. The activation energy of chalcopyrite leaching was affected indistinctively by the microwave-assisted heating (39.1 kJ/mol compared with the conventional heating (43.9 kJ/mol. However, the boiling point of the leaching system increased through microwave-assisted heating. Because of the improved boiling point and the selective heating of microwave, the interfacial reaction temperature increased significantly, which gave rise to the increase of the leaching recovery of copper. Moreover, the surface energy of the chalcopyrite through microwave-assisted heating was also enhanced, which was beneficial to strengthen the leaching of chalcopyrite. Keywords: Microwave-assisted heating, Chalcopyrite, Leaching kinetics, Interface temperature, Surface energy

  1. [Upper extremity kinetics and energy expenditure during walker-assisted gait in children with cerebral palsy].

    Science.gov (United States)

    Konop, Katherine A; Strifling, Kelly M B; Wang, Mei; Cao, Kevin; Eastwood, Daniel; Jackson, Scott; Ackman, Jeffrey; Altiok, Haluk; Schwab, Jeffrey; Harris, Gerald F

    2009-01-01

    We evaluated the relationships between upper extremity (UE) kinetics and the energy expenditure index during anterior and posterior walker-assisted gait in children with spastic diplegic cerebral palsy (CP). Ten children (3 boys, 7 girls; mean age 12.1 years; range 8 to 18 years) with spastic diplegic CP, who ambulated with a walker underwent gait analyses that included UE kinematics and kinetics. Upper extremity kinetics were obtained using instrumented walker handles. Energy expenditure index was obtained using the heart rate method (EEIHR) by subtracting resting heart rate from walking heart rate, and dividing by the walking speed. Correlations were sought between the kinetic variables and the EEIHR and temporal and stride parameters. In general, anterior walker use was associated with a higher EEIHR. Several kinetic variables correlated well with temporal and stride parameters, as well as the EEIHR. All of the significant correlations (r>0.80; pwalker use and involved joint reaction forces (JRF) rather than moments. Some variables showed multiple strong correlations during anterior walker use, including the medial JRF in the wrist, the posterior JRF in the elbow, and the inferior and superior JRFs in the shoulder. The observed correlations may indicate a relationship between the force used to advance the body forward within the walker frame and an increased EEIHR. More work is needed to refine the correlations, and to explore relationships with other variables, including the joint kinematics.

  2. Frustrated Kinetic Energy, the Optical Sum Rule, and the Mechanism of Superconductivity

    International Nuclear Information System (INIS)

    Chakravarty, S.; Kee, H.; Abrahams, E.

    1999-01-01

    The basis of the interlayer tunneling theory of high-temperature superconductivity is that the electronic kinetic energy in a direction perpendicular to the copper-oxygen planes is a substantial fraction of the condensation energy. This issue is critically examined, and it is argued from a rigorous conductivity sum rule that the consequences of this theory are consistent with recent optical and penetration depth measurements. copyright 1999 The American Physical Society

  3. The Control Based on Internal Average Kinetic Energy in Complex Environment for Multi-robot System

    Science.gov (United States)

    Yang, Mao; Tian, Yantao; Yin, Xianghua

    In this paper, reference trajectory is designed according to minimum energy consumed for multi-robot system, which nonlinear programming and cubic spline interpolation are adopted. The control strategy is composed of two levels, which lower-level is simple PD control and the upper-level is based on the internal average kinetic energy for multi-robot system in the complex environment with velocity damping. Simulation tests verify the effectiveness of this control strategy.

  4. Turbulent kinetic energy spectrum in very anisothermal flows

    International Nuclear Information System (INIS)

    Serra, Sylvain; Toutant, Adrien; Bataille, Françoise; Zhou, Ye

    2012-01-01

    In this Letter, we find that the Kolmogorov scaling law is no longer valid when the flow is submitted to strong dilatational effects caused by high temperature gradients. As a result, in addition to the nonlinear time scale, there is a much shorter “temperature gradients” time scale. We propose a model that estimates the time scale of the triple decorrelation incorporating the influences of the temperature gradient. The model agrees with the results from the thermal large-eddy simulations of different Reynolds numbers and temperature gradients. This Letter provides a better understanding of the very anisothermal turbulent flow. -- Highlights: ► Turbulent flows subject to high temperature gradients are considered. ► The new “temperature gradients” time scale is determined. ► A generalized energy spectrum is developed to incorporate the effects of temperature gradient.

  5. Lifetime and kinetic energy release of metastable dications dissociation

    International Nuclear Information System (INIS)

    Alagia, M.; Candori, P.; Falcinelli, S.; Mundim, K.C.; Mundim, M.S.P.; Pirani, F.; Richter, R.; Stranges, S.; Vecchiocattivi, F.

    2012-01-01

    Graphical abstract: A statistical method is proposed for extracting dynamics information from coincidence data in double photoionization of molecules. Highlights: ► When a photon, with sufficient energy, hits a molecule, a doubly charged ion can be formed. This dication has often a large probability of dissociate in two positive singly charged ions. ► Experiments of photoelectron–photoion–photoion coincidence can provide valuable information about the dynamics of such dissociation processes. ► A statistical method is proposed for extracting such information from the coincidence data. - Abstract: A new method for the determination of dynamical features of the molecular dication dissociation processes, following the single photon double ionization, investigated by time-of-flight mass spectrometry technique has been developed. The method is based on an extension of the generalized simulated annealing statistical methodology, previously applied in other fields. Here it is described and applied, as an example, to the case of the dissociation of the CO 2 2+ dication giving CO + + O + ion fragments. The results are consistent with previous determination of the metastable lifetime of the dication, but the analysis also provides additional information about the dynamics of the reaction.

  6. Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level.

    Science.gov (United States)

    Olsson, Martin A; Söderhjelm, Pär; Ryde, Ulf

    2016-06-30

    In this article, the convergence of quantum mechanical (QM) free-energy simulations based on molecular dynamics simulations at the molecular mechanics (MM) level has been investigated. We have estimated relative free energies for the binding of nine cyclic carboxylate ligands to the octa-acid deep-cavity host, including the host, the ligand, and all water molecules within 4.5 Å of the ligand in the QM calculations (158-224 atoms). We use single-step exponential averaging (ssEA) and the non-Boltzmann Bennett acceptance ratio (NBB) methods to estimate QM/MM free energy with the semi-empirical PM6-DH2X method, both based on interaction energies. We show that ssEA with cumulant expansion gives a better convergence and uses half as many QM calculations as NBB, although the two methods give consistent results. With 720,000 QM calculations per transformation, QM/MM free-energy estimates with a precision of 1 kJ/mol can be obtained for all eight relative energies with ssEA, showing that this approach can be used to calculate converged QM/MM binding free energies for realistic systems and large QM partitions. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.

  7. Converging ligand‐binding free energies obtained with free‐energy perturbations at the quantum mechanical level

    Science.gov (United States)

    Olsson, Martin A.; Söderhjelm, Pär

    2016-01-01

    In this article, the convergence of quantum mechanical (QM) free‐energy simulations based on molecular dynamics simulations at the molecular mechanics (MM) level has been investigated. We have estimated relative free energies for the binding of nine cyclic carboxylate ligands to the octa‐acid deep‐cavity host, including the host, the ligand, and all water molecules within 4.5 Å of the ligand in the QM calculations (158–224 atoms). We use single‐step exponential averaging (ssEA) and the non‐Boltzmann Bennett acceptance ratio (NBB) methods to estimate QM/MM free energy with the semi‐empirical PM6‐DH2X method, both based on interaction energies. We show that ssEA with cumulant expansion gives a better convergence and uses half as many QM calculations as NBB, although the two methods give consistent results. With 720,000 QM calculations per transformation, QM/MM free‐energy estimates with a precision of 1 kJ/mol can be obtained for all eight relative energies with ssEA, showing that this approach can be used to calculate converged QM/MM binding free energies for realistic systems and large QM partitions. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. PMID:27117350

  8. Energy dense, protein restricted diet increases adiposity and perturbs metabolism in young, genetically lean pigs.

    Directory of Open Access Journals (Sweden)

    Kimberly D Fisher

    Full Text Available Animal models of obesity and metabolic dysregulation during growth (or childhood are lacking. Our objective was to increase adiposity and induce metabolic syndrome in young, genetically lean pigs. Pre-pubertal female pigs, age 35 d, were fed a high-energy diet (HED; n = 12, containing 15% tallow, 35% refined sugars and 9.1-12.9% crude protein, or a control corn-based diet (n = 11 with 12.2-19.2% crude protein for 16 wk. Initially, HED pigs self-regulated energy intake similar to controls, but by wk 5, consumed more (P<0.001 energy per kg body weight. At wk 15, pigs were subjected to an oral glucose tolerance test (OGTT; blood glucose increased (P<0.05 in control pigs and returned to baseline levels within 60 min. HED pigs were hyperglycemic at time 0, and blood glucose did not return to baseline (P = 0.01, even 4 h post-challenge. During OGTT, glucose area under the curve (AUC was higher and insulin AUC was lower in HED pigs compared to controls (P = 0.001. Chronic HED intake increased (P<0.05 subcutaneous, intramuscular, and perirenal fat deposition, and induced hyperglycemia, hypoinsulinemia, and low-density lipoprotein hypercholesterolemia. A subset of HED pigs (n = 7 was transitioned back to a control diet for an additional six weeks. These pigs were subjected to an additional OGTT at 22 wk. Glucose AUC and insulin AUC did not improve, supporting that dietary intervention was not sufficient to recover glucose tolerance or insulin production. These data suggest a HED may be used to increase adiposity and disrupt glucose homeostasis in young, growing pigs.

  9. Energy dense, protein restricted diet increases adiposity and perturbs metabolism in young, genetically lean pigs.

    Science.gov (United States)

    Fisher, Kimberly D; Scheffler, Tracy L; Kasten, Steven C; Reinholt, Brad M; van Eyk, Gregory R; Escobar, Jeffery; Scheffler, Jason M; Gerrard, David E

    2013-01-01

    Animal models of obesity and metabolic dysregulation during growth (or childhood) are lacking. Our objective was to increase adiposity and induce metabolic syndrome in young, genetically lean pigs. Pre-pubertal female pigs, age 35 d, were fed a high-energy diet (HED; n = 12), containing 15% tallow, 35% refined sugars and 9.1-12.9% crude protein, or a control corn-based diet (n = 11) with 12.2-19.2% crude protein for 16 wk. Initially, HED pigs self-regulated energy intake similar to controls, but by wk 5, consumed more (Pblood glucose increased (Pblood glucose did not return to baseline (P = 0.01), even 4 h post-challenge. During OGTT, glucose area under the curve (AUC) was higher and insulin AUC was lower in HED pigs compared to controls (P = 0.001). Chronic HED intake increased (PAUC and insulin AUC did not improve, supporting that dietary intervention was not sufficient to recover glucose tolerance or insulin production. These data suggest a HED may be used to increase adiposity and disrupt glucose homeostasis in young, growing pigs.

  10. Kinetic energy of throughfall in a highly diverse forest ecosystem in the humid subtropics

    Science.gov (United States)

    Geißler, Christian; Kühn, Peter; Scholten, Thomas

    2010-05-01

    After decades of research it is generally accepted that vegetation is a key factor in controlling soil erosion. Therefore, in ecosystems where erosion is a serious problem, afforestation is a common measure against erosion. Most of the studies in the last decades focused on agricultural systems and less attention was paid to natural systems. To understand the mechanisms preventing soil erosion in natural systems the processes have to be studied in detail and gradually. The first step and central research question is on how the canopies of the tree layer alter the properties of rainfall and generate throughfall. Kinetic energy is a widely used parameter to estimate the erosion potential of open field rainfall and throughfall. In the past, numerous studies have shown that vegetation of a certain height enhances the kinetic energy under the canopy (Chapman 1948, Mosley 1982, Vis 1986, Hall & Calder 1993, Nanko et al. 2006, Nanko et al. 2008) in relation to open field rainfall. This is mainly due to a shift in the drop size distribution to less but larger drops possessing a higher amount of kinetic energy. In vital forest ecosystems lower vegetation (shrubs, herbs) as well as a continuous litter layer protects the forest soil from the impact of large drops. The influence of biodiversity, specific forest stands or single species in this process system is still in discussion. In the present study calibrated splash cups (after Ellison 1947, Geißler et al. under review) have been used to detect differences in kinetic energy on the scale of specific species and on the scale of forest stands of contrasting age and biodiversity in a natural forest ecosystem. The splash cups have been calibrated experimentally using a laser disdrometer. The results show that the kinetic energy of throughfall produced by the tree layer increases with the age of the specific forest stand. The average throughfall kinetic energy (J m-2) is about 2.6 times higher in forests than under open field

  11. R. O. Kinetic, energy saver for desalination plants by reverse osmosis; R. O: Kinetic, sistema de ahorro de energia en las plantas de osmosis inversa

    Energy Technology Data Exchange (ETDEWEB)

    Plasencia Rodriguez, J. P.

    2003-07-01

    The R. O. Kinetic is a novel system of energy saving, for desalination plants by reverse osmosis, based on the isobaric chambers. With this system it is able to obtain values of specific consumption of energy during the process, around 2, 1-2,2 kWh/m''3, reducing the operation cost of these facilities. (Author)

  12. Fission fragment mass and total kinetic energy distributions of spontaneously fissioning plutonium isotopes

    Science.gov (United States)

    Pomorski, K.; Nerlo-Pomorska, B.; Bartel, J.; Schmitt, C.

    2018-03-01

    The fission-fragment mass and total kinetic energy (TKE) distributions are evaluated in a quantum mechanical framework using elongation, mass asymmetry, neck degree of freedom as the relevant collective parameters in the Fourier shape parametrization recently developed by us. The potential energy surfaces (PES) are calculated within the macroscopic-microscopic model based on the Lublin-Strasbourg Drop (LSD), the Yukawa-folded (YF) single-particle potential and a monopole pairing force. The PES are presented and analysed in detail for even-even Plutonium isotopes with A = 236-246. They reveal deep asymmetric valleys. The fission-fragment mass and TKE distributions are obtained from the ground state of a collective Hamiltonian computed within the Born-Oppenheimer approximation, in the WKB approach by introducing a neck-dependent fission probability. The calculated mass and total kinetic energy distributions are found in good agreement with the data.

  13. Distributed activation energy model for kinetic analysis of multi-stage hydropyrolysis of coal

    Energy Technology Data Exchange (ETDEWEB)

    Liu, X.; Li, W.; Wang, N.; Li, B. [Chinese Academy of Sciences, Taiyuan (China). Inst. of Coal Chemistry

    2003-07-01

    Based on the new analysis of distributed activation energy model, a bicentral distribution model was introduced to the analysis of multi-stage hydropyrolysis of coal. The hydropyrolysis for linear temperature programming with and without holding stage were mathematically described and the corresponding kinetic expressions were achieved. Based on the kinetics, the hydropyrolysis (HyPr) and multi-stage hydropyrolysis (MHyPr) of Xundian brown coal was simulated. The results shows that both Mo catalyst and 2-stage holding can lower the apparent activation energy of hydropyrolysis and make activation energy distribution become narrow. Besides, there exists an optimum Mo loading of 0.2% for HyPy of Xundian lignite. 10 refs.

  14. Photodissociation dynamics of propene at 157.6 nm: Kinetic energy distributions and branching ratios

    International Nuclear Information System (INIS)

    Lee, S.-H.; Lee, Y.-Y.; Lee, Yuan T.; Yang Xueming

    2003-01-01

    Photodissociation dynamics of propene at 157.6 nm has been investigated in a molecular beam apparatus using the photofragment translational spectroscopic technique combined with the vacuum ultraviolet ionization method. Eleven photofragments have been successfully detected and ascribed to eight (five binary and three triple) dissociation channels: namely, C 3 H 5 +H, C 3 H 4 +H+H, C 3 H 4 +H 2 , C 3 H 3 +H 2 +H, C 2 H 4 +CH 2 , C 2 H 3 +CH 3 , C 2 H 2 +CH 4 , and C 2 H 2 +CH 3 +H. Their branching ratios have been determined to be 1%, 7%, 2 H 2 +CH 3 +H channel. In addition, the averaged kinetic energy releases and the fractions in translational energy have also been determined from the measured kinetic energy distributions. For the binary dissociation channels, the fractions in translational energy are less than 18% except the C 3 H 5 +H channel, whereas they are more than 42% for the triple dissociation channels. An intriguing finding indicates that the C 2 H 4 +CH 2 channel has a nearly identical kinetic energy distribution and a similar branching ratio to the C 2 H 3 +CH 3 channel, although the former undergoes a three-center elimination process different from the C-C bond rupture occurring in the latter

  15. Statistical properties of kinetic and total energy densities in reverberant spaces

    DEFF Research Database (Denmark)

    Jacobsen, Finn; Molares, Alfonso Rodriguez

    2010-01-01

    Many acoustical measurements, e.g., measurement of sound power and transmission loss, rely on determining the total sound energy in a reverberation room. The total energy is usually approximated by measuring the mean-square pressure (i.e., the potential energy density) at a number of discrete....... With the advent of a three-dimensional particle velocity transducer, it has become somewhat easier to measure total rather than only potential energy density in a sound field. This paper examines the ensemble statistics of kinetic and total sound energy densities in reverberant enclosures theoretically...... positions. The idea of measuring the total energy density instead of the potential energy density on the assumption that the former quantity varies less with position than the latter goes back to the 1930s. However, the phenomenon was not analyzed until the late 1970s and then only for the region of high...

  16. Perturbation theory

    International Nuclear Information System (INIS)

    Bartlett, R.; Kirtman, B.; Davidson, E.R.

    1978-01-01

    After noting some advantages of using perturbation theory some of the various types are related on a chart and described, including many-body nonlinear summations, quartic force-field fit for geometry, fourth-order correlation approximations, and a survey of some recent work. Alternative initial approximations in perturbation theory are also discussed. 25 references

  17. Statistical model of a flexible inextensible polymer chain: The effect of kinetic energy

    Science.gov (United States)

    Pergamenshchik, V. M.; Vozniak, A. B.

    2017-01-01

    Because of the holonomic constraints, the kinetic energy contribution in the partition function of an inextensible polymer chain is difficult to find, and it has been systematically ignored. We present the first thermodynamic calculation incorporating the kinetic energy of an inextensible polymer chain with the bending energy. To explore the effect of the translation-rotation degrees of freedom, we propose and solve a statistical model of a fully flexible chain of N +1 linked beads which, in the limit of smooth bending, is equivalent to the well-known wormlike chain model. The partition function with the kinetic and bending energies and correlations between orientations of any pair of links and velocities of any pair of beads are found. This solution is precise in the limits of small and large rigidity-to-temperature ratio b /T . The last exact solution is essential as even very "harmless" approximation results in loss of the important effects when the chain is very rigid. For very high b /T , the orientations of different links become fully correlated. Nevertheless, the chain does not go over into a hard rod even in the limit b /T →∞ : While the velocity correlation length diverges, the correlations themselves remain weak and tend to the value ∝T /(N +1 ). The N dependence of the partition function is essentially determined by the kinetic energy contribution. We demonstrate that to obtain the correct energy and entropy in a constrained system, the T derivative of the partition function has to be applied before integration over the constraint-setting variable.

  18. Benchmark Database of Transition Metal Surface and Adsorption Energies from Many-Body Perturbation Theory

    DEFF Research Database (Denmark)

    Schmidt, Per Simmendefeldt; Thygesen, Kristian Sommer

    2018-01-01

    (RPA) is found to yield high accuracy for both adsorption and surface energies. In contrast, all the considered density functionals fail to describe both quantities accurately. This establishes the RPA as a universally accurate method for surface science. In the second part, we use the RPA to construct...... be significant. RPA is compared to the more advanced renormalized adiabatic LDA (rALDA) method for a subset of the reactions, and they are found to describe the adsorbate-metal bond as well as adsorbate-adsorbate interactions similarly. The RPA results are compared to a range of standard density functional...... theory methods typically employed for surface reactions representing the various rungs on Jacob's ladder. The deviations are found to be highly functional, surface, and reaction dependent. Our work establishes the RPA and rALDA methods as universally accurate full ab initio methods for surface science...

  19. Perturbation expansion of the ground-state energy for the one-dimensional cyclic Hubbard system in the Hueckel limit

    International Nuclear Information System (INIS)

    Takahashi, M.; Bracken, P.; Cizek, J.; Paldus, J.

    1995-01-01

    The perturbation expansion coefficients for the ground-state energy of the half-filled one-dimensional Hubbard model with N = 4 ν + 2, (ν = 1,2,...) sites and satisfying cyclic boundary conditions were calculated in the Hueckel limit (U/β → 0), where β designates the one-electron hopping or resonance integral, and U, the two-electron on-site Coulomb integral. This was achieved by solving-order by order-the Lieb-Wu equations, a system of transcendental equations that determines the set of quasi-momenta (k i ) and spin variable τ α for this model. The exact values for these quantities were found for the N = 6 member ring up to the 20th order in terms of the coupling constant B = U/2β, as well as numerically for 10 ≤ N ≤ 50, and the N = 6 Lieb-Wu system was reduced to a system of sextic algebraic equations. These results are compared with those of the infinite system derived analytically by Misurkin and Ovchinnikov. It is further shown how the results of this article can be used for the interpolation by the root of a polynomial. It is demonstrated that a polynomial of relatively small degree provides a very good approximation for the energy in the intermediate coupling region. 20 refs., 3 tabs

  20. Symbolic derivation of high-order Rayleigh-Schroedinger perturbation energies using computer algebra: Application to vibrational-rotational analysis of diatomic molecules

    Energy Technology Data Exchange (ETDEWEB)

    Herbert, John M. [Kansas State Univ., Manhattan, KS (United States). Dept. of Chemistry

    1997-01-01

    Rayleigh-Schroedinger perturbation theory is an effective and popular tool for describing low-lying vibrational and rotational states of molecules. This method, in conjunction with ab initio techniques for computation of electronic potential energy surfaces, can be used to calculate first-principles molecular vibrational-rotational energies to successive orders of approximation. Because of mathematical complexities, however, such perturbation calculations are rarely extended beyond the second order of approximation, although recent work by Herbert has provided a formula for the nth-order energy correction. This report extends that work and furnishes the remaining theoretical details (including a general formula for the Rayleigh-Schroedinger expansion coefficients) necessary for calculation of energy corrections to arbitrary order. The commercial computer algebra software Mathematica is employed to perform the prohibitively tedious symbolic manipulations necessary for derivation of generalized energy formulae in terms of universal constants, molecular constants, and quantum numbers. As a pedagogical example, a Hamiltonian operator tailored specifically to diatomic molecules is derived, and the perturbation formulae obtained from this Hamiltonian are evaluated for a number of such molecules. This work provides a foundation for future analyses of polyatomic molecules, since it demonstrates that arbitrary-order perturbation theory can successfully be applied with the aid of commercially available computer algebra software.

  1. Kinetic energy recovery turbine technology: resource assessment and site development strategy

    Energy Technology Data Exchange (ETDEWEB)

    Briand, Marie-Helene; Ng, Karen

    2010-09-15

    New technologies to extract readily available energy from waves, tides and river flow are being developed and are promising but are still at the demonstration stage. Harnessing kinetic energy from currents (hydrokinetic power) is considered an attractive and cost-effective renewable energy solution to replace thermal generation without requiring construction of a dam or large civil works. The nature of this innovative hydrokinetic technology requires an adaptation of conventional approach to project engineering and environmental impact studies. This paper presents the approach developed by RSW to design a hydrokinetic site in the riverine environment, from resource assessment to detailed engineering design.

  2. Metabolic disruption in context: Clinical avenues for synergistic perturbations in energy homeostasis by endocrine disrupting chemicals.

    Science.gov (United States)

    Sargis, Robert M

    2015-01-01

    The global epidemic of metabolic disease is a clear and present danger to both individual and societal health. Understanding the myriad factors contributing to obesity and diabetes is essential for curbing their decades-long expansion. Emerging data implicate environmental endocrine disrupting chemicals (EDCs) in the pathogenesis of metabolic diseases such as obesity and diabetes. The phenylsulfamide fungicide and anti-fouling agent tolylfluanid (TF) was recently added to the list of EDCs promoting metabolic dysfunction. Dietary exposure to this novel metabolic disruptor promoted weight gain, increased adiposity, and glucose intolerance as well as systemic and cellular insulin resistance. Interestingly, the increase in body weight and adipose mass was not a consequence of increased food consumption; rather, it may have resulted from disruptions in diurnal patterns of energy intake, raising the possibility that EDCs may promote metabolic dysfunction through alterations in circadian rhythms. While these studies provide further evidence that EDCs may promote the development of obesity and diabetes, many questions remain regarding the clinical factors that modulate patient-specific consequences of EDC exposure, including the impact of genetics, diet, lifestyle, underlying disease, pharmacological treatments, and clinical states of fat redistribution. Currently, little is known regarding the impact of these factors on an individual's susceptibility to environmentally-mediated metabolic disruption. Advances in these areas will be critical for translating EDC science into the clinic to enable physicians to stratify an individual's risk of developing EDC-induced metabolic disease and to provide direction for treating exposed patients.

  3. Energy deposition by heavy ions: additivity of kinetic and potential energy contributions in hillock formation on CaF2.

    Science.gov (United States)

    Wang, Y Y; Grygiel, C; Dufour, C; Sun, J R; Wang, Z G; Zhao, Y T; Xiao, G Q; Cheng, R; Zhou, X M; Ren, J R; Liu, S D; Lei, Y; Sun, Y B; Ritter, R; Gruber, E; Cassimi, A; Monnet, I; Bouffard, S; Aumayr, F; Toulemonde, M

    2014-07-18

    Modification of surface and bulk properties of solids by irradiation with ion beams is a widely used technique with many applications in material science. In this study, we show that nano-hillocks on CaF2 crystal surfaces can be formed by individual impact of medium energy (3 and 5 MeV) highly charged ions (Xe(22+) to Xe(30+)) as well as swift (kinetic energies between 12 and 58 MeV) heavy xenon ions. For very slow highly charged ions the appearance of hillocks is known to be linked to a threshold in potential energy (Ep) while for swift heavy ions a minimum electronic energy loss per unit length (Se) is necessary. With our results we bridge the gap between these two extreme cases and demonstrate, that with increasing energy deposition via Se the Ep-threshold for hillock production can be lowered substantially. Surprisingly, both mechanisms of energy deposition in the target surface seem to contribute in an additive way, which can be visualized in a phase diagram. We show that the inelastic thermal spike model, originally developed to describe such material modifications for swift heavy ions, can be extended to the case where both kinetic and potential energies are deposited into the surface.

  4. On the ultrafast kinetics of the energy and electron transfer reactions in photosystem I

    Energy Technology Data Exchange (ETDEWEB)

    Slavov, Chavdar Lyubomirov

    2009-07-09

    The subject of the current work is one of the main participants in the light-dependent phase of oxygenic photosynthesis, Photosystem I (PS I). This complex carries an immense number of cofactors: chlorophylls (Chl), carotenoids, quinones, etc, which together with the protein entity exhibit several exceptional properties. First, PS I has an ultrafast light energy trapping kinetics with a nearly 100% quantum efficiency. Secondly, both of the electron transfer branches in the reaction center are suggested to be active. Thirdly, there are some so called 'red' Chls in the antenna system of PS I, absorbing light with longer wavelengths than the reaction center. These 'red' Chls significantly modify the trapping kinetics of PS I. The purpose of this thesis is to obtain better understanding of the above-mentioned, specific features of PS I. This will not merely cast more light on the mechanisms of energy and electron transfer in the complex, but also will contribute to the future developments of optimized artificial light-harvesting systems. In the current work, a number of PS I complexes isolated from different organisms (Thermosynechococcus elongatus, Chlamydomonas reinhardtii, Arabidopsis thaliana) and possessing distinctive features (different macroorganisation, monomers, trimers, monomers with a semibelt of peripheral antenna attached; presence of 'red' Chls) is investigated. The studies are primarily focused on the electron transfer kinetics in each of the cofactor branches in the PS I reaction center, as well as on the effect of the antenna size and the presence of 'red' Chls on the trapping kinetics of PS I. These aspects are explored with the help of several ultrafast optical spectroscopy methods: (i) time-resolved fluorescence ? single photon counting and synchroscan streak camera; and (ii) ultrafast transient absorption. Physically meaningful information about the molecular mechanisms of the energy trapping in PS I is

  5. Ion kinetic energy distribution in a pulsed vacuum arc with a straight magnetic filter

    International Nuclear Information System (INIS)

    Giuliani, L; Grondona, D; Kelly, H; Minotti, F

    2008-01-01

    In vacuum arcs of interest for film deposition the ion kinetic energy is of importance because it influences the coating properties. In this kind of discharge, the ions come out from the cathode spots with a high kinetic energy (20-150 eV). In the present work, we present measurements of vacuum arc ion energy distributions in a pulsed vacuum arc with a straight magnetic filter. A retarding field analyser (RFA) was used to perform the measurements that were carried out with a variable magnetic field strength (of the order of 10 mT). Since the interpretation of the results obtained from the RFA lies in the knowledge of the plasma and floating potential values, we have employed also Langmuir probes for determining those quantities. The obtained results for the ion kinetic energy are similar to those reported by other authors, but they were also found to be independent of the magnetic field strength. The electron temperature was also found to be independent of the magnetic field strength and of the axial position along the filter, indicating the absence of collisions.

  6. Boson-fermion and boson-boson scattering in a Yang-Mills theory at high energy: Sixth-order perturbation theory

    International Nuclear Information System (INIS)

    McCoy, B.M.; Wu, T.T.

    1976-01-01

    Our previous study of Yang-Mills fields is extended by calculating the high-energy behavior of the boson-fermion and of the boson-boson amplitude in sixth-order perturbation theory. In the isovector and isoscalar channels of both these processes the behavior of the amplitude is the same as that found in fermion-fermion scattering

  7. The kinetic energy operator for distance-dependent effective nuclear masses: Derivation for a triatomic molecule.

    Science.gov (United States)

    Khoma, Mykhaylo; Jaquet, Ralph

    2017-09-21

    The kinetic energy operator for triatomic molecules with coordinate or distance-dependent nuclear masses has been derived. By combination of the chain rule method and the analysis of infinitesimal variations of molecular coordinates, a simple and general technique for the construction of the kinetic energy operator has been proposed. The asymptotic properties of the Hamiltonian have been investigated with respect to the ratio of the electron and proton mass. We have demonstrated that an ad hoc introduction of distance (and direction) dependent nuclear masses in Cartesian coordinates preserves the total rotational invariance of the problem. With the help of Wigner rotation functions, an effective Hamiltonian for nuclear motion can be derived. In the derivation, we have focused on the effective trinuclear Hamiltonian. All necessary matrix elements are given in closed analytical form. Preliminary results for the influence of non-adiabaticity on vibrational band origins are presented for H 3 + .

  8. Budget of Turbulent Kinetic Energy in a Shock Wave Boundary-Layer Interaction

    Science.gov (United States)

    Vyas, Manan A.; Waindim, Mbu; Gaitonde, Datta V.

    2016-01-01

    Implicit large-eddy simulation (ILES) of a shock wave/boundary-layer interaction (SBLI) was performed. Quantities present in the exact equation of the turbulent kinetic energy transport were accumulated and used to calculate terms like production, dissipation, molecular diffusion, and turbulent transport. The present results for a turbulent boundary layer were validated by comparison with direct numerical simulation data. It was found that a longer development domain was necessary for the boundary layer to reach an equilibrium state and a finer mesh resolution would improve the predictions. In spite of these findings, trends of the present budget match closely with that of the direct numerical simulation. Budgets for the SBLI region are presented at key axial stations. These budgets showed interesting dynamics as the incoming boundary layer transforms and the terms of the turbulent kinetic energy budget change behavior within the interaction region.

  9. Wave-particle energy exchange directly observed in a kinetic Alfvén-branch wave.

    Science.gov (United States)

    Gershman, Daniel J; F-Viñas, Adolfo; Dorelli, John C; Boardsen, Scott A; Avanov, Levon A; Bellan, Paul M; Schwartz, Steven J; Lavraud, Benoit; Coffey, Victoria N; Chandler, Michael O; Saito, Yoshifumi; Paterson, William R; Fuselier, Stephen A; Ergun, Robert E; Strangeway, Robert J; Russell, Christopher T; Giles, Barbara L; Pollock, Craig J; Torbert, Roy B; Burch, James L

    2017-03-31

    Alfvén waves are fundamental plasma wave modes that permeate the universe. At small kinetic scales, they provide a critical mechanism for the transfer of energy between electromagnetic fields and charged particles. These waves are important not only in planetary magnetospheres, heliospheres and astrophysical systems but also in laboratory plasma experiments and fusion reactors. Through measurement of charged particles and electromagnetic fields with NASA's Magnetospheric Multiscale (MMS) mission, we utilize Earth's magnetosphere as a plasma physics laboratory. Here we confirm the conservative energy exchange between the electromagnetic field fluctuations and the charged particles that comprise an undamped kinetic Alfvén wave. Electrons confined between adjacent wave peaks may have contributed to saturation of damping effects via nonlinear particle trapping. The investigation of these detailed wave dynamics has been unexplored territory in experimental plasma physics and is only recently enabled by high-resolution MMS observations.

  10. Wave-Particle Energy Exchange Directly Observed in a Kinetic Alfven-Branch Wave

    Science.gov (United States)

    Gershman, Daniel J.; F-Vinas, Adolfo; Dorelli, John C.; Boardsen, Scott A. (Inventor); Avanov, Levon A.; Bellan, Paul M.; Schwartz, Steven J.; Lavraud, Benoit; Coffey, Victoria N.; Chandler, Michael O.; hide

    2017-01-01

    Alfven waves are fundamental plasma wave modes that permeate the universe. At small kinetic scales they provide a critical mechanism for the transfer of energy between electromagnetic fields and charged particles. These waves are important not only in planetary magnetospheres, heliospheres, and astrophysical systems, but also in laboratory plasma experiments and fusion reactors. Through measurement of charged particles and electromagnetic fields with NASAs Magnetospheric Multiscale (MMS) mission, we utilize Earths magnetosphere as a plasma physics laboratory. Here we confirm the conservative energy exchange between the electromagnetic field fluctuations and the charged particles that comprise an undamped kinetic Alfven wave. Electrons confined between adjacent wave peaks may have contributed to saturation of damping effects via non-linear particle trapping. The investigation of these detailed wave dynamics has been unexplored territory in experimental plasma physics and is only recently enabled by high-resolution MMS observations.

  11. Kinetic energy and scalar spectra in high Rayleigh number axially homogeneous buoyancy driven turbulence

    Science.gov (United States)

    Pawar, Shashikant S.; Arakeri, Jaywant H.

    2016-06-01

    Kinetic energy and scalar spectra from the measurements in high Rayleigh number axially homogeneous buoyancy driven turbulent flow are presented. Kinetic energy and concentration (scalar) spectra are obtained from the experiments wherein density difference is created using brine and fresh water and temperature spectra are obtained from the experiments in which heat is used. Scaling of the frequency spectra of lateral and longitudinal velocity near the tube axis is closer to the Kolmogorov-Obukhov scaling, while the scalar spectra show some evidence of dual scaling, Bolgiano-Obukhov scaling followed by Obukhov-Corrsin scaling. These scalings are also observed in the corresponding second order spatial structure functions of velocity and concentration fluctuations.

  12. Revisiting the density scaling of the non-interacting kinetic energy.

    Science.gov (United States)

    Borgoo, Alex; Teale, Andrew M; Tozer, David J

    2014-07-28

    Scaling relations play an important role in the understanding and development of approximate functionals in density functional theory. Recently, a number of these relationships have been redefined in terms of the Kohn-Sham orbitals [Calderín, Phys. Rev. A: At., Mol., Opt. Phys., 2013, 86, 032510]. For density scaling the author proposed a procedure involving a multiplicative scaling of the Kohn-Sham orbitals whilst keeping their occupation numbers fixed. In the present work, the differences between this scaling with fixed occupation numbers and that of previous studies, where the particle number change implied by the scaling was accommodated through the use of the grand canonical ensemble, are examined. We introduce the terms orbital and ensemble density scaling for these approaches, respectively. The natural ambiguity of the density scaling of the non-interacting kinetic energy functional is examined and the ancillary definitions implicit in each approach are highlighted and compared. As a consequence of these differences, Calderín recovered a homogeneity of degree 1 for the non-interacting kinetic energy functional under orbital scaling, contrasting recent work by the present authors [J. Chem. Phys., 2012, 136, 034101] where the functional was found to be inhomogeneous under ensemble density scaling. Furthermore, we show that the orbital scaling result follows directly from the linearity and the single-particle nature of the kinetic energy operator. The inhomogeneity of the non-interacting kinetic energy functional under ensemble density scaling can be quantified by defining an effective homogeneity. This quantity is shown to recover the homogeneity values for important approximate forms that are exact for limiting cases such as the uniform electron gas and one-electron systems. We argue that the ensemble density scaling provides more insight into the development of new functional forms.

  13. Improving the signal-to-noise ratio in mass and ion kinetic energy spectrometers

    International Nuclear Information System (INIS)

    Brenton, A.G.; Beynon, J.H.; Morgan, R.P.

    1979-01-01

    The signal-to-noise ratio in mass and ion kinetic energy spectrometers is limited by noise generated from the presence of scattered ions and neutrals. Methods of eliminating this are illustrated with reference to the ZAB-2F instrument manufactured by VG-Micromass Ltd. It is estimated that after the modifications the instrument is capable, on a routine basis, of measuring peaks corresponding to the arrival of ions at a rate of the order of 1 ion s -1 . (Auth.)

  14. Electron screening and kinetic-energy oscillations in a strongly coupled plasma

    International Nuclear Information System (INIS)

    Chen, Y.C.; Simien, C.E.; Laha, S.; Gupta, P.; Martinez, Y.N.; Mickelson, P.G.; Nagel, S.B.; Killian, T.C.

    2004-01-01

    We study equilibration of strongly coupled ions in an ultracold neutral plasma produced by photoionizing laser-cooled and trapped atoms. By varying the electron temperature, we show that electron screening modifies the equilibrium ion temperature. Even with few electrons in a Debye sphere, the screening is well described by a model using a Yukawa ion-ion potential. We also observe damped oscillations of the ion kinetic energy that are a unique feature of equilibration of a strongly coupled plasma

  15. Electrochemical oxidation of COD from real textile wastewaters: Kinetic study and energy consumption.

    Science.gov (United States)

    Zou, Jiaxiu; Peng, Xiaolan; Li, Miao; Xiong, Ying; Wang, Bing; Dong, Faqin; Wang, Bin

    2017-03-01

    In the present study, the electrochemical oxidation of real wastewaters discharged by textile industry was carried out using a boron-doped diamond (BDD) anode. The effect of operational variables, such as applied current density (20-100 mA·cm -2 ), NaCl concentration added to the real wastewaters (0-3 g·L -1 ), and pH value (2.0-10.0), on the kinetics of COD oxidation and on the energy consumption was carefully investigated. The obtained experimental results could be well matched with a proposed kinetic model, in which the indirect oxidation mediated by electrogenerated strong oxidants would be described through a pseudo-first-order kinetic constant k. Values of k exhibited a linear increase with increasing applied current density and decreasing pH value, and an exponential increase with NaCl concentration. Furthermore, high oxidation kinetics resulted in low specific energy consumption, but this conclusion was not suitable to the results obtained under different applied current density. Under the optimum operational conditions, it only took 3 h to complete remove the COD in the real textile wastewaters and the specific energy consumption could be as low as 11.12 kWh·kg -1  COD. The obtained results, low energy consumption and short electrolysis time, allowed to conclude that the electrochemical oxidation based on BDD anodes would have practical industrial application for the treatment of real textile wastewater. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. Generalized chiral perturbation theory

    International Nuclear Information System (INIS)

    Knecht, M.; Stern, J.

    1994-01-01

    The Generalized Chiral Perturbation Theory enlarges the framework of the standard χPT (Chiral Perturbation Theory), relaxing certain assumptions which do not necessarily follow from QCD or from experiment, and which are crucial for the usual formulation of the low energy expansion. In this way, experimental tests of the foundations of the standard χPT become possible. Emphasis is put on physical aspects rather than on formal developments of GχPT. (author). 31 refs

  17. Pyrolysis characteristics and kinetics of low rank coals by distributed activation energy model

    International Nuclear Information System (INIS)

    Song, Huijuan; Liu, Guangrui; Wu, Jinhu

    2016-01-01

    Highlights: • Types of carbon in coal structure were investigated by curve-fitted "1"3C NMR spectra. • The work related pyrolysis characteristics and kinetics with coal structure. • Pyrolysis kinetics of low rank coals were studied by DAEM with Miura integral method. • DAEM could supply accurate extrapolations under relatively higher heating rates. - Abstract: The work was conducted to investigate pyrolysis characteristics and kinetics of low rank coals relating with coal structure by thermogravimetric analysis (TGA), the distributed activation energy model (DAEM) and solid-state "1"3C Nuclear Magnetic Resonance (NMR). Four low rank coals selected from different mines in China were studied in the paper. TGA was carried out with a non-isothermal temperature program in N_2 at the heating rate of 5, 10, 20 and 30 °C/min to estimate pyrolysis processes of coal samples. The results showed that corresponding characteristic temperatures and the maximum mass loss rates increased as heating rate increased. Pyrolysis kinetics parameters were investigated by the DAEM using Miura integral method. The DAEM was accurate verified by the good fit between the experimental and calculated curves of conversion degree x at the selected heating rates and relatively higher heating rates. The average activation energy was 331 kJ/mol (coal NM), 298 kJ/mol (coal NX), 302 kJ/mol (coal HLJ) and 196 kJ/mol (coal SD), respectively. The curve-fitting analysis of "1"3C NMR spectra was performed to characterize chemical structures of low rank coals. The results showed that various types of carbon functional groups with different relative contents existed in coal structure. The work indicated that pyrolysis characteristics and kinetics of low rank coals were closely associated with their chemical structures.

  18. Measuring kinetic energy changes in the mesoscale with low acquisition rates

    Energy Technology Data Exchange (ETDEWEB)

    Roldán, É. [ICFO–Institut de Ciències Fotòniques, Mediterranean Technology Park, Av. Carl Friedrich Gauss 3, 08860 Castelldefels (Barcelona) (Spain); GISC–Grupo Interdisciplinar de Sistemas Complejos, Madrid (Spain); Martínez, I. A.; Rica, R. A., E-mail: rul@ugr.es [ICFO–Institut de Ciències Fotòniques, Mediterranean Technology Park, Av. Carl Friedrich Gauss 3, 08860 Castelldefels (Barcelona) (Spain); Dinis, L. [GISC–Grupo Interdisciplinar de Sistemas Complejos, Madrid (Spain); Departamento de Física Atómica, Molecular y Nuclear, Universidad Complutense de Madrid, 28040 Madrid (Spain)

    2014-06-09

    We report on the measurement of the average kinetic energy changes in isothermal and non-isothermal quasistatic processes in the mesoscale, realized with a Brownian particle trapped with optical tweezers. Our estimation of the kinetic energy change allows to access to the full energetic description of the Brownian particle. Kinetic energy estimates are obtained from measurements of the mean square velocity of the trapped bead sampled at frequencies several orders of magnitude smaller than the momentum relaxation frequency. The velocity is tuned applying a noisy electric field that modulates the amplitude of the fluctuations of the position and velocity of the Brownian particle, whose motion is equivalent to that of a particle in a higher temperature reservoir. Additionally, we show that the dependence of the variance of the time-averaged velocity on the sampling frequency can be used to quantify properties of the electrophoretic mobility of a charged colloid. Our method could be applied to detect temperature gradients in inhomogeneous media and to characterize the complete thermodynamics of biological motors and of artificial micro and nanoscopic heat engines.

  19. Recruiting at the Edge: Kinetic Energy Inhibits Anchovy Populations in the Western Mediterranean

    Science.gov (United States)

    Ruiz, Javier; Macías, Diego; Rincón, Margarita M.; Pascual, Ananda; Catalán, Ignacio A.; Navarro, Gabriel

    2013-01-01

    The Strait of Gibraltar replenishes the Mediterranean with Atlantic waters through an intense eastward current known as the Atlantic Jet (AJ). The AJ fertilizes the southwestern Mediterranean and is considered to be the ultimate factor responsible for the comparatively high fish production of this region. Here, we perform an analysis of the available historical catches and catch per unit effort (CPUE), together with a long series of surface currents, kinetic energy and chlorophyll concentration. We show that the high kinetic energy of the AJ increases primary production but also negatively impacts the recruitment of anchovy. We contend that anchovy recruitment in the region is inhibited by the advection and dispersion of larvae and post-larvae during periods of strong advection by the AJ. The inhibitory impact of kinetic energy on anchovy landings is not a transient but rather a persistent state of the system. An exceptional combination of events creates an outbreak of this species in the Alboran Sea. These events depend on the Mediterranean-Atlantic exchange of water masses and, therefore, are highly sensitive to climate changes that are projected, though not always negatively, for fish landings. PMID:23451027

  20. Nucleation of diindenoperylene and pentacene at thermal and hyperthermal incident kinetic energies

    Energy Technology Data Exchange (ETDEWEB)

    Kish, Edward R.; Desai, Tushar V.; Greer, Douglas R.; Engstrom, James R., E-mail: jre7@cornell.edu [School of Chemical and Biomolecular Engineering, Cornell University, Ithaca, New York 14853 (United States); Woll, Arthur R. [Cornell High Energy Synchrotron Source, Cornell University, Ithaca, New York 14853 (United States)

    2015-05-15

    The authors have examined the nucleation of diindenoperylene (DIP) on SiO{sub 2} employing primarily atomic force microscopy and focusing on the effect of incident kinetic energy employing both thermal and supersonic sources. For all incident kinetic energies examined (E{sub i} = 0.09–11.3 eV), the nucleation of DIP is homogeneous and the dependence of the maximum island density on the growth rate is described by a power law. A critical nucleus of approximately two molecules is implicated by our data. A re-examination of the nucleation of pentacene on SiO{sub 2} gives the same major result that the maximum island density is determined by the growth rate, and it is independent of the incident kinetic energy. These observations are readily understood by factoring in the size of the critical nucleus in each case, and the island density, which indicates that diffusive transport of molecules to the growing islands dominate the dynamics of growth in the submonolayer regime.

  1. Kinetics of interaction from low-energy-ion bombardment of surfaces

    International Nuclear Information System (INIS)

    Horton, C.C.

    1988-01-01

    The kinetics of interaction from low energy oxygen ion bombardment of carbon and Teflon surfaces have been investigated. The surfaces were bombarded with 4.5 to 93 eV oxygen ions and emitted species were observed with a mass spectrometer. To obtain the kinetic information, the ion beam was square pulse modulated and reaction products were observed as a function of time. The kinetic information is contained in the response of the emitted species to the pulsed ion beam. Oxygen bombardment of carbon produced CO in three parallel branches with each following an adsorption-desorption process. The fast branch, with a rate constants of 12,000/sec, appeared to be sputter induced an was absent below about 19 eV. The medium and slow branches, with rate constants of 850/sec and 45/sec respectively, has little energy dependence and appeared to be due to chemical sputtering from two sites. The ratio of the fraction of the medium branch to that of the slow was constant at 1:3. The bombardment of Teflon produced CF in two parallel branches, with one following a series process and the other an adsorb-desorb process. The rate constant of the other branch were 22,000/sec and 7,000/sec and the rate constant of the other branch was 90/sec. The total signal fell monotonically with decreasing ion energy with the fraction for each branch holding constant at 71% for the series and 29% for the adsorb-desorb

  2. Alkali metal cation selectivity of [17]ketonand in methanol: free energy perturbation and molecular dynamics simulation studies

    International Nuclear Information System (INIS)

    Hwang, Sun Gu; Chung, Doo Soo; Jang, Yun Hee; Ryu, Gean Ha

    1999-01-01

    Free energy perturbation and molecular dynamics simulations were carried out to investigate the relative binding affinities of [1 7 ]ketonand (1) toward alkali metal cations in methanol. The binding affinities of 1 toward the alkali metal cations were calculated to be in the order Li + >Na + >K + >Rb + >Cs + , whereas our recent theoretically predicted and experimentally observed binding affinities for [1 8 ]starand (2) were in the order K + >Rb + >Cs + >Na + >Li + . The extremely different affinities of 1 and 2 toward smaller cations, Li + and Na + , were explained in terms of the differences in their ability to change the conformation to accommodate cations of different sizes. The carbonyl groups constituting the central cavity of 1 can reorganize to form a cavity with the optimal M + -O distance, even for the smallest Li + , without imposing serious strain on 1. The highest affinity of 1 for Li + was predominantly due to the highest Coulombic attraction between the smallest Li + and the carbonyl oxygens of 1

  3. Monte Carlo simulation for fragment mass and kinetic energy distributions from the neutron-induced fission of 235U

    International Nuclear Information System (INIS)

    Montoya, M.; Rojas, J.; Saettone, E.

    2007-01-01

    The mass and kinetic energy distribution of nuclear fragments from the thermal neutron-induced fission of 235 U have been studied using a Monte Carlo simulation. Besides reproducing the pronounced broadening on the standard deviation of the final fragment kinetic energy distribution (σ e (m)) around the mass number m = 109, our simulation also produces a second broadening around m = 125 that is in agreement with the experimental data obtained by Belhafaf et al. These results are a consequence of the characteristics of the neutron emission, the variation in the primary fragment mean kinetic energy, and the yield as a function of the mass. (Author)

  4. Monte Carlo simulation for fragment mass and kinetic energy distributions from the neutron-induced fission of {sup 235}U

    Energy Technology Data Exchange (ETDEWEB)

    Montoya, M.; Rojas, J. [Instituto Peruano de Energia Nuclear, Av. Canada 1470, Lima 41 (Peru); Saettone, E. [Facultad de Ciencias, Universidad Nacional de lngenieria, Av. Tupac Amaru 210, Apartado 31-139, Lima (Peru)

    2007-07-01

    The mass and kinetic energy distribution of nuclear fragments from the thermal neutron-induced fission of {sup 235}U have been studied using a Monte Carlo simulation. Besides reproducing the pronounced broadening on the standard deviation of the final fragment kinetic energy distribution ({sigma}{sub e}(m)) around the mass number m = 109, our simulation also produces a second broadening around m = 125 that is in agreement with the experimental data obtained by Belhafaf et al. These results are a consequence of the characteristics of the neutron emission, the variation in the primary fragment mean kinetic energy, and the yield as a function of the mass. (Author)

  5. SU-E-T-608: Perturbation Corrections for Alanine Dosimeters in Different Phantom Materials in High-Energy Photon Beams

    International Nuclear Information System (INIS)

    Voigts-Rhetz, P von; Czarnecki, D; Anton, M; Zink, K

    2015-01-01

    Purpose: Alanine dosimeters are often used for in-vivo dosimetry purposes in radiation therapy. In a Monte Carlo study the influence of 20 different surrounding/phantom materials for alanine dosimeters was investigated. The investigations were performed in high-energy photon beams, covering the whole range from 60 Co up to 25 MV-X. The aim of the study is the introduction of a perturbation correction k env for alanine dosimeters accounting for the environmental material. Methods: The influence of different surrounding materials on the response of alanine dosimeters was investigated with Monte Carlo simulations using the EGSnrc code. The photon source was adapted with BEAMnrc to a 60 Co unit and an Elekta (E nom =6, 10, 25 MV-X) linear accelerator. Different tissue-equivalent materials ranging from cortical bone to lung were investigated. In addition to available phantom materials, some material compositions were taken and scaled to different electron densities. The depth of the alanine detectors within the different phantom materials corresponds to 5 cm depth in water, i.e. the depth is scaled according to the electron density (n e /n e,w ) of the corresponding phantom material. The dose was scored within the detector volume once for an alanine/paraffin mixture and once for a liquid water voxel. The relative response, the ratio of the absorbed dose to alanine to the absorbed dose to water, was calculated and compared to the corresponding ratio under reference conditions. Results: For each beam quality the relative response r and the correction factor for the environment kenv was calculated. k env =0.9991+0.0049 *((n e /n e,w )−0.7659) 3 Conclusion: A perturbation correction factor k env accounting for the phantom environment has been introduced. The response of the alanine dosimeter can be considered independent of the surrounding material for relative electron densities (n e /n e,w ) between 1 and 1.4. For denser materials such as bone or much less dense

  6. Kinetic energy in the collective quadrupole Hamiltonian from the experimental data

    Energy Technology Data Exchange (ETDEWEB)

    Jolos, R.V., E-mail: jolos@theor.jinr.ru [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Dubna State University, 141980 Dubna (Russian Federation); Kolganova, E.A. [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Dubna State University, 141980 Dubna (Russian Federation)

    2017-06-10

    Dependence of the kinetic energy term of the collective nuclear Hamiltonian on collective momentum is considered. It is shown that the fourth order in collective momentum term of the collective quadrupole Hamiltonian generates a sizable effect on the excitation energies and the matrix elements of the quadrupole moment operator. It is demonstrated that the results of calculation are sensitive to the values of some matrix elements of the quadrupole moment. It stresses the importance for a concrete nucleus to have the experimental data for the reduced matrix elements of the quadrupole moment operator taken between all low lying states with the angular momenta not exceeding 4.

  7. Development of imploding liners with kinetic energies > 100 MJ and their applications

    International Nuclear Information System (INIS)

    Reinovsky, R.E.; Ekdahl, C.A.

    1996-01-01

    The Los Alamos program in High Energy Density Physics is developing high performance imploding liners as sources of high energy density environments for experimental physics applications. High performance liners are, for these purposes, liners with high velocity, 100 MJ or more kinetic energy at 20-50 MJ/cm of height. They must have sufficient azimuthal symmetry, axial uniformity and density to perform as high quality impactors on central, cylindrical targets. Scientific applications of such liners are numerous and varied. For example, the properties of materials at extreme energy densities can be assessed in such an experimental environment. The physics of plasmas near solid density can be studied and hydrodynamics experiments at high Mach number (above 5?) in materials that are near solid density and significantly ionized can be conducted. In addition, liners with substantial kinetic energy and good integrity at velocities of one to a few cm/microsec make good implosion drivers for fusion plasmas in the context of magnetized target fusion and MAGO

  8. Evaluation of energy collapsing effect on reactor kinetics parameters by diffusion theory

    International Nuclear Information System (INIS)

    Unesaki, Hironobu

    1989-01-01

    Reactor kinetics parameters play an important role as scaling factors between observed and calculated reactivities in the analysis of reactor physics experiments. In this report, energy collapsing errors in two kinetic parameters, the effective delayed neutron fraction and the neutron life time, are investigated by means of the diffusion theory. Coarse group calculations are made for various energy group structures. Cores of various moderator-to-fuel volume ratios are selected to investigate the influence of neutron spectrum changes on the energy collapsing error. The energy collapsing errors in the effective delayed neutron fraction and neutron life time are much larger than those in k eff . This might be because the former two parameters are functions of both the foward and adjoint flux, whereas the latter is a function of the forward flux alone. The use of coarse constants will cause errors in both fluxes, and the resulting errors in the former will be much more emphasized. As the effective delayed neutron fraction is sensitive to the treatment of an energy region in the vicinity of the fission spectrum peak, the coarse group error in it might differ between cores with different enrichment and composition. Inaccurate weighting of group constants leads to neutron spectra which do not conserve the fine group spectra, and those errors will be emphasized in calculated integral parameters. (N.K.)

  9. A method for ion distribution function evaluation using escaping neutral atom kinetic energy samples

    International Nuclear Information System (INIS)

    Goncharov, P.R.; Ozaki, T.; Veshchev, E.A.; Sudo, S.

    2008-01-01

    A reliable method to evaluate the probability density function for escaping atom kinetic energies is required for the analysis of neutral particle diagnostic data used to study the fast ion distribution function in fusion plasmas. Digital processing of solid state detector signals is proposed in this paper as an improvement of the simple histogram approach. Probability density function for kinetic energies of neutral particles escaping from the plasma has been derived in a general form taking into account the plasma ion energy distribution, electron capture and loss rates, superposition along the diagnostic sight line and the magnetic surface geometry. A pseudorandom number generator has been realized that enables a sample of escaping neutral particle energies to be simulated for given plasma parameters and experimental conditions. Empirical probability density estimation code has been developed and tested to reconstruct the probability density function from simulated samples assuming. Maxwellian and classical slowing down plasma ion energy distribution shapes for different temperatures and different slowing down times. The application of the developed probability density estimation code to the analysis of experimental data obtained by the novel Angular-Resolved Multi-Sightline Neutral Particle Analyzer has been studied to obtain the suprathermal particle distributions. The optimum bandwidth parameter selection algorithm has also been realized. (author)

  10. Chemical bond as a test of density-gradient expansions for kinetic and exchange energies

    International Nuclear Information System (INIS)

    Perdew, J.P.; Levy, M.; Painter, G.S.; Wei, S.; Lagowski, J.B.

    1988-01-01

    Errors in kinetic and exchange contributions to the molecular bonding energy are assessed for approximate density functionals by reference to near-exact Hartree-Fock values. From the molecular calculations of Allan et al. and of Lee and Ghosh, it is demonstrated that the density-gradient expansion does not accurately describe the noninteracting kinetic contribution to the bonding energy, even when this expansion is carried to fourth order and applied in its spin-density-functional form to accurate Hartree-Fock densities. In a related study, it is demonstrated that the overbinding of molecules such as N 2 and F 2 , which occurs in the local-spin-density (LSD) approximation for the exchange-correlation energy, is not attributable to errors in the self-consistent LSD densities. Contrary to expectations based upon the Gunnarsson-Jones nodality argument, it is found that the LSD approximation for the exchange energy can seriously overbind a molecule even when bonding does not create additional nodes in the occupied valence orbitals. LSD and exact values for the exchange contribution to the bonding energy are displayed and discussed for several molecules

  11. Fundamental kinetics and innovative applications of nonequilibrium atomic vibration in thermal energy transport and conversion

    Science.gov (United States)

    Shin, Seungha

    All energy conversion inefficiencies begin with emission of resonant atomic motions, e.g., vibrations, and are declared as waste heat once these motions thermalize to equilibrium. The nonequilibrium energy occupancy of the vibrational modes can be targeted as a harvestable, low entropy energy source for direct conversion to electric energy. Since the lifetime of these resonant vibrations is short, special nanostructures are required with the appropriate tuning of the kinetics. These in turn require multiscale, multiphysics treatments. Atomic vibration is described with quasiparticle phonon in solid, and the optical phonon emission is dominant relaxation channel in semiconductors. These optical modes become over-occupied when their emission rate becomes larger than their decay rate, thus hindering energy relaxation and transport in devices. Effective removal of these phonons by drifting electrons is investigated by manipulating the electron distribution to have higher population in the low-energy states, thus allowing favorable phonon absorption. This is done through introduction, design and analysis of a heterobarrier conducting current, where the band gap is controlled by alloying, thus creating a spatial variation which is abrupt followed by a linear gradient (to ensure directed current). Self-consistent ensemble Monte Carlo simulations based on interaction kinetics between electron and phonon show that up to 19% of the phonon energy is converted to electric potential with an optimized GaAs/AlxGa1-xAs barrier structure over a range of current and electron densities, and this system is also verified through statistical entropy analysis. This direct energy conversion improves the device performance with lower operation temperature and enhances overall energy conversion efficiency. Through this study, the paradigm for harvesting the resonant atomic vibration is proposed, reversing the general role of phonon as only causing electric potential drop. Fundamentals

  12. Anisotropic kinetic energy release and gyroscopic behavior of CO2 super rotors from an optical centrifuge

    Science.gov (United States)

    Murray, Matthew J.; Ogden, Hannah M.; Mullin, Amy S.

    2017-10-01

    An optical centrifuge is used to generate an ensemble of CO2 super rotors with oriented angular momentum. The collision dynamics and energy transfer behavior of the super rotor molecules are investigated using high-resolution transient IR absorption spectroscopy. New multipass IR detection provides improved sensitivity to perform polarization-dependent transient studies for rotational states with 76 ≤ J ≤ 100. Polarization-dependent measurements show that the collision-induced kinetic energy release is spatially anisotropic and results from both near-resonant energy transfer between super rotor molecules and non-resonant energy transfer between super rotors and thermal molecules. J-dependent studies show that the extent and duration of the orientational anisotropy increase with rotational angular momentum. The super rotors exhibit behavior akin to molecular gyroscopes, wherein molecules with larger amounts of angular momentum are less likely to change their angular momentum orientation through collisions.

  13. Kinetic energy distributions of sputtered neutral aluminum clusters: Al--Al6

    International Nuclear Information System (INIS)

    Coon, S.R.; Calaway, W.F.; Pellin, M.J.; Curlee, G.A.; White, J.M.

    1992-01-01

    Neutral aluminum clusters sputtered from polycrystalline aluminum were analyzed by laser postionization time-of-flight (TOF) mass spectrometry. The kinetic energy distributions of Al through Al 6 were measured by a neutrals time-of-flight technique. The interpretation of laser postionization TOF data to extract velocity and energy distributions is presented. The aluminum cluster distributions are qualitatively similar to previous copper cluster distribution measurements from our laboratory. In contrast to the steep high energy tails predicted by the single- or multiple- collision models, the measured cluster distributions have high energy power law dependences in the range of E -3 to E -4.5 . Correlated collision models may explain the substantial abundance of energetic clusters that are observed in these experiments. Possible influences of cluster fragmentation on the distributions are discussed

  14. Kinetic energy of ions produced with first-, second-, and multi-shot femtosecond laser ablation on a solid surface

    International Nuclear Information System (INIS)

    Kobayashi, Tohru; Kato, Toshiyuki; Kurata-Nishimura, Mizuki; Matsuo, Yukari; Kawai, Jun; Motobayashi, Tohru; Hayashizaki, Yoshihide

    2007-01-01

    We report that the kinetic energy of samarium (Sm) atom and Sm + ion produced by femtosecond laser ablation of solid samarium is strongly dependent on the number of ablation laser shots in the range from 1 to 10. By ablating the fresh surface (i.e. 1st shot), we find the kinetic energy of both Sm and Sm + ion to be the largest (24 and 250 eV, respectively). Almost 10 times larger kinetic energy of Sm + ion than that of Sm clearly indicates the contribution of Coulomb explosion in the acceleration process. From the second shot, kinetic energies of Sm and Sm + ion are lower than those of the first shot and almost constant (ca. 12 and 80 eV, respectively). This behaviour suggests the change in the nature of the solid surface after femtosecond laser ablation, which can be explained by the amorphization of ablated sample surface reported in recent studies

  15. Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

    Science.gov (United States)

    Seino, Junji; Kageyama, Ryo; Fujinami, Mikito; Ikabata, Yasuhiro; Nakai, Hiromi

    2018-06-01

    A semi-local kinetic energy density functional (KEDF) was constructed based on machine learning (ML). The present scheme adopts electron densities and their gradients up to third-order as the explanatory variables for ML and the Kohn-Sham (KS) kinetic energy density as the response variable in atoms and molecules. Numerical assessments of the present scheme were performed in atomic and molecular systems, including first- and second-period elements. The results of 37 conventional KEDFs with explicit formulae were also compared with those of the ML KEDF with an implicit formula. The inclusion of the higher order gradients reduces the deviation of the total kinetic energies from the KS calculations in a stepwise manner. Furthermore, our scheme with the third-order gradient resulted in the closest kinetic energies to the KS calculations out of the presented functionals.

  16. Measurement of turbulent spatial structure and kinetic energy spectrum by exact temporal-to-spatial mapping

    DEFF Research Database (Denmark)

    Buchhave, Preben; Velte, Clara Marika

    2017-01-01

    distortions caused by Taylor’s hypothesis. The method is first confirmed to produce the correct statistics using computer simulations and later applied to measurements in some of the most difficult regions of a round turbulent jet—the non-equilibrium developing region and the outermost parts of the developed......We present a method for converting a time record of turbulent velocity measured at a point in a flow to a spatial velocity record consisting of consecutive convection elements. The spatial record allows computation of dynamic statistical moments such as turbulent kinetic wavenumber spectra...... and spatial structure functions in a way that completely bypasses the need for Taylor’s hypothesis. The spatial statistics agree with the classical counterparts, such as the total kinetic energy spectrum, at least for spatial extents up to the Taylor microscale. The requirements for applying the method...

  17. Application of the graphical unitary group approach to the energy second derivative for CI wave functions via the coupled perturbed CI equations

    International Nuclear Information System (INIS)

    Fox, D.J.

    1983-10-01

    Analytic derivatives of the potential energy for Self-Consistent-Field (SCF) wave functions have been developed in recent years and found to be useful tools. The first derivative for configuration interaction (CI) wave functions is also available. This work details the extension of analytic methods to energy second derivatives for CI wave functions. The principal extension required for second derivatives is evaluation of the first order change in the CI wave function with respect to a nuclear perturbation. The shape driven graphical unitary group approach (SDGUGA) direct CI program was adapted to evaluate this term via the coupled-perturbed CI equations. Several iterative schemes are compared for use in solving these equations. The pilot program makes no use of molecular symmetry but the timing results show that utilization of molecular symmetry is desirable. The principles for defining and solving a set of symmetry adapted equations are discussed. Evaluation of the second derivative also requires the solution of the second order coupled-perturbed Hartree-Fock equations to obtain the correction to the molecular orbitals due to the nuclear perturbation. This process takes a consistently higher percentage of the computation time than for the first order equations alone and a strategy for its reduction is discussed

  18. A generalized electron energy probability function for inductively coupled plasmas under conditions of nonlocal electron kinetics

    Science.gov (United States)

    Mouchtouris, S.; Kokkoris, G.

    2018-01-01

    A generalized equation for the electron energy probability function (EEPF) of inductively coupled Ar plasmas is proposed under conditions of nonlocal electron kinetics and diffusive cooling. The proposed equation describes the local EEPF in a discharge and the independent variable is the kinetic energy of electrons. The EEPF consists of a bulk and a depleted tail part and incorporates the effect of the plasma potential, Vp, and pressure. Due to diffusive cooling, the break point of the EEPF is eVp. The pressure alters the shape of the bulk and the slope of the tail part. The parameters of the proposed EEPF are extracted by fitting to measure EEPFs (at one point in the reactor) at different pressures. By coupling the proposed EEPF with a hybrid plasma model, measurements in the gaseous electronics conference reference reactor concerning (a) the electron density and temperature and the plasma potential, either spatially resolved or at different pressure (10-50 mTorr) and power, and (b) the ion current density of the electrode, are well reproduced. The effect of the choice of the EEPF on the results is investigated by a comparison to an EEPF coming from the Boltzmann equation (local electron kinetics approach) and to a Maxwellian EEPF. The accuracy of the results and the fact that the proposed EEPF is predefined renders its use a reliable alternative with a low computational cost compared to stochastic electron kinetic models at low pressure conditions, which can be extended to other gases and/or different electron heating mechanisms.

  19. Positronium spin conversion during collisions with Xe and its application for measuring the kinetic energy

    International Nuclear Information System (INIS)

    Shibuya, Kengo; Kawamura, Yoshihiro; Saito, Haruo

    2015-01-01

    Positronium(Ps) can undergo ortho-para spin conversion reaction during Ps-Xecollisions due to spin-orbit interaction. We have investigated energy dependence of this reaction rate and found it is nearly proportional to T 2.1 , where T is the temperature (300-623 K), while the pick-off annihilation rate is proportional to T. The strong temperature dependence of the former annihilation rate is attributed to a nature of p-wave scattering because this reaction is forbidden in s-wave scattering. In addition, a new method for measuring Ps kinetic energy has been developed with a high resolution and a high sensitivity by utilizing the strong temperature dependence as a 'thermometer.' Analyzingthe obtained time evolution of Ps kinetic energy, we have determined the momentum transfer cross section during Ps-Xecollisions at a very low energy (40-60 meV) to be 12(2)×10 −16 cm 2 . (paper)

  20. Understanding interface properties from high kinetic energy photoelectron spectroscopy and first principles theory

    International Nuclear Information System (INIS)

    Granroth, Sari; Olovsson, Weine; Holmstroem, Erik; Knut, Ronny; Gorgoi, Mihaela; Svensson, Svante; Karis, Olof

    2011-01-01

    Advances in instrumentation regarding 3rd generation synchrotron light sources and electron spectrometers has enabled the field of high kinetic energy photoelectron spectroscopy (HIKE) (also often denoted hard X-ray photoelectron spectroscopy (HX-PES or HAXPES)). Over the last years, the amount of investigations that relies on the HIKE method has increased dramatically and can arguably be said to have given a rebirth of the interest in photoelectron spectroscopy in many areas. It is in particular the much increased mean free path at higher kinetic energies in combination with the elemental selectivity of the core level spectroscopies in general that has lead to this fact, as it makes it possible to investigate the electronic structure of materials with a substantially reduced surface sensitivity. In this review we demonstrate how HIKE can be used to investigate the interface properties in multilayer systems. Relative intensities of the core level photoelectron peaks and their chemical shifts derived from binding energy changes are found to give precise information on physico-chemical properties and quality of the buried layers. Interface roughening, including kinetic properties such as the rate of alloying, and temperature effects on the processes can be analyzed quantitatively. We will also provide an outline of the theoretical framework that is used to support the interpretation of data. We provide examples from our own investigations of multilayer systems which comprises both systems of more model character and a multilayer system very close to real applications in devices that are considered to be viable alternative to the present read head technology. The experimental data presented in this review is exclusively recorded at the BESSY-II synchrotron at the Helmholtz-Zentrum Berlin fuer Materialien und Energie. This HIKE facility is placed at the bending magnet beamline KMC-1, which makes it different from several other facilities which relies on undulators as

  1. Instabilities in mimetic matter perturbations

    Energy Technology Data Exchange (ETDEWEB)

    Firouzjahi, Hassan; Gorji, Mohammad Ali [School of Astronomy, Institute for Research in Fundamental Sciences (IPM), P.O. Box 19395-5531, Tehran (Iran, Islamic Republic of); Mansoori, Seyed Ali Hosseini, E-mail: firouz@ipm.ir, E-mail: gorji@ipm.ir, E-mail: shosseini@shahroodut.ac.ir, E-mail: shossein@ipm.ir [Physics Department, Shahrood University of Technology, P.O. Box 3619995161 Shahrood (Iran, Islamic Republic of)

    2017-07-01

    We study cosmological perturbations in mimetic matter scenario with a general higher derivative function. We calculate the quadratic action and show that both the kinetic term and the gradient term have the wrong sings. We perform the analysis in both comoving and Newtonian gauges and confirm that the Hamiltonians and the associated instabilities are consistent with each other in both gauges. The existence of instabilities is independent of the specific form of higher derivative function which generates gradients for mimetic field perturbations. It is verified that the ghost instability in mimetic perturbations is not associated with the higher derivative instabilities such as the Ostrogradsky ghost.

  2. Impact of the lipid bilayer on energy transfer kinetics in the photosynthetic protein LH2.

    Science.gov (United States)

    Ogren, John I; Tong, Ashley L; Gordon, Samuel C; Chenu, Aurélia; Lu, Yue; Blankenship, Robert E; Cao, Jianshu; Schlau-Cohen, Gabriela S

    2018-03-28

    Photosynthetic purple bacteria convert solar energy to chemical energy with near unity quantum efficiency. The light-harvesting process begins with absorption of solar energy by an antenna protein called Light-Harvesting Complex 2 (LH2). Energy is subsequently transferred within LH2 and then through a network of additional light-harvesting proteins to a central location, termed the reaction center, where charge separation occurs. The energy transfer dynamics of LH2 are highly sensitive to intermolecular distances and relative organizations. As a result, minor structural perturbations can cause significant changes in these dynamics. Previous experiments have primarily been performed in two ways. One uses non-native samples where LH2 is solubilized in detergent, which can alter protein structure. The other uses complex membranes that contain multiple proteins within a large lipid area, which make it difficult to identify and distinguish perturbations caused by protein-protein interactions and lipid-protein interactions. Here, we introduce the use of the biochemical platform of model membrane discs to study the energy transfer dynamics of photosynthetic light-harvesting complexes in a near-native environment. We incorporate a single LH2 from Rhodobacter sphaeroides into membrane discs that provide a spectroscopically amenable sample in an environment more physiological than detergent but less complex than traditional membranes. This provides a simplified system to understand an individual protein and how the lipid-protein interaction affects energy transfer dynamics. We compare the energy transfer rates of detergent-solubilized LH2 with those of LH2 in membrane discs using transient absorption spectroscopy and transient absorption anisotropy. For one key energy transfer step in LH2, we observe a 30% enhancement of the rate for LH2 in membrane discs compared to that in detergent. Based on experimental results and theoretical modeling, we attribute this difference to

  3. Third-Order Density Perturbation and One-Loop Power Spectrum in Dark-Energy-Dominated Universe(Astrophysics and Cosmology)

    OpenAIRE

    Ryuichi, TAKAHASHI; Department of Physics and Astrophysics, Nagoya University

    2008-01-01

    We investigate the third-order density perturbation and the one-loop correction to the linear power spectrum in the dark-energy cosmological model. Our main interest is to understand the dark-energy effect on baryon acoustic oscillations in a quasi-nonlinear regime (k≈0.1h/Mpc). Analytical solutions and simple fitting formulae are presented for the dark-energy model with the general time-varying equation of state w(a). It turns out that the power spectrum coincides with the approximate res...

  4. Sensory Agreement Guides Kinetic Energy Optimization of Arm Movements during Object Manipulation.

    Directory of Open Access Journals (Sweden)

    Ali Farshchiansadegh

    2016-04-01

    Full Text Available The laws of physics establish the energetic efficiency of our movements. In some cases, like locomotion, the mechanics of the body dominate in determining the energetically optimal course of action. In other tasks, such as manipulation, energetic costs depend critically upon the variable properties of objects in the environment. Can the brain identify and follow energy-optimal motions when these motions require moving along unfamiliar trajectories? What feedback information is required for such optimal behavior to occur? To answer these questions, we asked participants to move their dominant hand between different positions while holding a virtual mechanical system with complex dynamics (a planar double pendulum. In this task, trajectories of minimum kinetic energy were along curvilinear paths. Our findings demonstrate that participants were capable of finding the energy-optimal paths, but only when provided with veridical visual and haptic information pertaining to the object, lacking which the trajectories were executed along rectilinear paths.

  5. Gravitational attraction until relativistic equipartition of internal and translational kinetic energies

    Science.gov (United States)

    Bulyzhenkov, I. E.

    2018-02-01

    Translational ordering of the internal kinematic chaos provides the Special Relativity referents for the geodesic motion of warm thermodynamical bodies. Taking identical mathematics, relativistic physics of the low speed transport of time-varying heat-energies differs from Newton's physics of steady masses without internal degrees of freedom. General Relativity predicts geodesic changes of the internal heat-energy variable under the free gravitational fall and the geodesic turn in the radial field center. Internal heat variations enable cyclic dynamics of decelerated falls and accelerated takeoffs of inertial matter and its structural self-organization. The coordinate speed of the ordered spatial motion takes maximum under the equipartition of relativistic internal and translational kinetic energies. Observable predictions are discussed for verification/falsification of the principle of equipartition as a new basic for the ordered motion and self-organization in external fields, including gravitational, electromagnetic, and thermal ones.

  6. Traffic Perturbation

    CERN Multimedia

    C. Colloca TS/FM

    2004-01-01

    TS/FM group informs you that, for the progress of the works at the Prévessin site entrance, some perturbation of the traffic may occur during the week between the 14th and 18th of June for a short duration. Access will be assured at any time. For more information, please contact 160239. C. Colloca TS/FM

  7. Photodissociation dynamics of formyl fluoride (HFCO) at 193 nm: Branching ratios and distributions of kinetic energy

    International Nuclear Information System (INIS)

    Lee, H.; Wu, C.-Y.; Yang, S.K.; Lee, Y.-P.

    2005-01-01

    Following photodissociation of formyl fluoride (HFCO) at 193 nm, we detected products with fragmentation translational spectroscopy utilizing a tunable vacuum ultraviolet beam from a synchrotron for ionization. Among three primary dissociation channels observed in this work, the F-elimination channel HFCO→HCO+F dominates, with a branching ratio ∼0.66 and an average release of kinetic energy ∼55 kJ mol -1 ; about 17% of HCO further decomposes to H+CO. The H-elimination channel HFCO→FCO+H has a branching ratio ∼0.28 and an average release of kinetic energy ∼99 kJ mol -1 ; about 21% of FCO further decomposes to F+CO. The F-elimination channel likely proceeds via the S 1 surface whereas the H-elimination channel proceeds via the T 1 surface; both channels exhibit moderate barriers for dissociation. The molecular HF-elimination channel HFCO→HF+CO, correlating with the ground electronic surface, has a branching ratio of only ∼0.06; the average translational release of 93 kJ mol -1 , ∼15% of available energy, implies that the fragments are highly internally excited. Detailed mechanisms of photodissociation are discussed

  8. Making waves: Kinetic processes controlling surface evolution during low energy ion sputtering

    International Nuclear Information System (INIS)

    Chan, W.L.; Chason, Eric

    2007-01-01

    When collimated beams of low energy ions are used to bombard materials, the surface often develops a periodic pattern or ''ripple'' structure. Different types of patterns are observed to develop under different conditions, with characteristic features that depend on the substrate material, the ion beam parameters, and the processing conditions. Because the patterns develop spontaneously, without applying any external mask or template, their formation is the expression of a dynamic balance among fundamental surface kinetic processes, e.g., erosion of material from the surface, ion-induced defect creation, and defect-mediated evolution of the surface morphology. In recent years, a comprehensive picture of the different kinetic mechanisms that control the different types of patterns that form has begun to emerge. In this article, we provide a review of different mechanisms that have been proposed and how they fit together in terms of the kinetic regimes in which they dominate. These are grouped into regions of behavior dominated by the directionality of the ion beam, the crystallinity of the surface, the barriers to surface roughening, and nonlinear effects. In sections devoted to each type of behavior, we relate experimental observations of patterning in these regimes to predictions of continuum models and to computer simulations. A comparison between theory and experiment is used to highlight strengths and weaknesses in our understanding. We also discuss the patterning behavior that falls outside the scope of the current understanding and opportunities for advancement

  9. An innovative approach to enhance methane hydrate formation kinetics with leucine for energy storage application

    International Nuclear Information System (INIS)

    Veluswamy, Hari Prakash; Kumar, Asheesh; Kumar, Rajnish; Linga, Praveen

    2017-01-01

    Highlights: • Innovative combinatorial hybrid approach to reduce nucleation stochasticity and enhance hydrate growth. • Methane hydrate growth curves are similar in UTR and STR configurations in presence of leucine. • Amalgamation of stirred (STR) and unstirred (UTR) configuration is demonstrated. • Reliable method for scale up and commercial production of Solidified Natural Gas (SNG). - Abstract: Natural gas storage in clathrate hydrates or solidified natural gas (SNG) offers the safest, cleanest and the most compact mode of storage aided by the relative ease in natural gas (NG) recovery with minimal cost compared to known conventional methods of NG storage. The stochastic nature of hydrate nucleation and the slow kinetics of hydrate growth are major challenges that needs to be addressed on the SNG production side. A deterministic and fast nucleation coupled with rapid crystallization kinetics would empower this beneficial technology for commercial application. We propose a hybrid combinatorial approach of methane hydrate formation utilizing the beneficial aspect of environmentally benign amino acid (leucine) as a kinetic promoter by combining stirred and unstirred reactor operation. This hybrid approach is simple, can easily be implemented and scaled-up to develop an economical SNG technology for efficient storage of natural gas on a large scale. Added benefits include the minimal energy requirement during hydrate growth resulting in overall cost reduction for SNG technology.

  10. Cosmological perturbations in antigravity

    Science.gov (United States)

    Oltean, Marius; Brandenberger, Robert

    2014-10-01

    We compute the evolution of cosmological perturbations in a recently proposed Weyl-symmetric theory of two scalar fields with oppositely signed conformal couplings to Einstein gravity. It is motivated from the minimal conformal extension of the standard model, such that one of these scalar fields is the Higgs while the other is a new particle, the dilaton, introduced to make the Higgs mass conformally symmetric. At the background level, the theory admits novel geodesically complete cyclic cosmological solutions characterized by a brief period of repulsive gravity, or "antigravity," during each successive transition from a big crunch to a big bang. For simplicity, we consider scalar perturbations in the absence of anisotropies, with potential set to zero and without any radiation. We show that despite the necessarily wrong-signed kinetic term of the dilaton in the full action, these perturbations are neither ghostlike nor tachyonic in the limit of strongly repulsive gravity. On this basis, we argue—pending a future analysis of vector and tensor perturbations—that, with respect to perturbative stability, the cosmological solutions of this theory are viable.

  11. Releasable Kinetic Energy-Based Inertial Control of a DFIG Wind Power Plant

    DEFF Research Database (Denmark)

    Lee, Jinsik; Muljadi, Eduard; Sørensen, Poul Ejnar

    2016-01-01

    Wind turbine generators (WTGs) in a wind power plant (WPP) contain different levels of releasable kinetic energy (KE) because of the wake effects. This paper proposes a releasable KE-based inertial control scheme for a doubly fed induction generator (DFIG) WPP that differentiates the contributions....... The proposed scheme adjusts the two loop gains in a DFIG controller depending on its rotor speed so that a DFIG operating at a higher rotor speed releases more KE. The performance of the proposed scheme was investigated under various wind conditions. The results clearly indicate that the proposed scheme...

  12. Anomalous dissipation and kinetic-energy distribution in pipes at very high Reynolds numbers.

    Science.gov (United States)

    Chen, Xi; Wei, Bo-Bo; Hussain, Fazle; She, Zhen-Su

    2016-01-01

    A symmetry-based theory is developed for the description of (streamwise) kinetic energy K in turbulent pipes at extremely high Reynolds numbers (Re's). The theory assumes a mesolayer with continual deformation of wall-attached eddies which introduce an anomalous dissipation, breaking the exact balance between production and dissipation. An outer peak of K is predicted above a critical Re of 10^{4}, in good agreement with experimental data. The theory offers an alternative explanation for the recently discovered logarithmic distribution of K. The concept of anomalous dissipation is further supported by a significant modification of the k-ω equation, yielding an accurate prediction of the entire K profile.

  13. Effects of Time-Dependent Inflow Perturbations on Turbulent Flow in a Street Canyon

    Science.gov (United States)

    Duan, G.; Ngan, K.

    2017-12-01

    Urban flow and turbulence are driven by atmospheric flows with larger horizontal scales. Since building-resolving computational fluid dynamics models typically employ steady Dirichlet boundary conditions or forcing, the accuracy of numerical simulations may be limited by the neglect of perturbations. We investigate the sensitivity of flow within a unit-aspect-ratio street canyon to time-dependent perturbations near the inflow boundary. Using large-eddy simulation, time-periodic perturbations to the streamwise velocity component are incorporated via the nudging technique. Spatial averages of pointwise differences between unperturbed and perturbed velocity fields (i.e., the error kinetic energy) show a clear dependence on the perturbation period, though spatial structures are largely insensitive to the time-dependent forcing. The response of the error kinetic energy is maximized for perturbation periods comparable to the time scale of the mean canyon circulation. Frequency spectra indicate that this behaviour arises from a resonance between the inflow forcing and the mean motion around closed streamlines. The robustness of the results is confirmed using perturbations derived from measurements of roof-level wind speed.

  14. A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves

    Science.gov (United States)

    Giner, Emmanuel; Angeli, Celestino; Garniron, Yann; Scemama, Anthony; Malrieu, Jean-Paul

    2017-06-01

    The present paper introduces a new multi-reference perturbation approach developed at second order, based on a Jeziorski-Mokhorst expansion using individual Slater determinants as perturbers. Thanks to this choice of perturbers, an effective Hamiltonian may be built, allowing for the dressing of the Hamiltonian matrix within the reference space, assumed here to be a CAS-CI. Such a formulation accounts then for the coupling between the static and dynamic correlation effects. With our new definition of zeroth-order energies, these two approaches are strictly size-extensive provided that local orbitals are used, as numerically illustrated here and formally demonstrated in the Appendix. Also, the present formalism allows for the factorization of all double excitation operators, just as in internally contracted approaches, strongly reducing the computational cost of these two approaches with respect to other determinant-based perturbation theories. The accuracy of these methods has been investigated on ground-state potential curves up to full dissociation limits for a set of six molecules involving single, double, and triple bond breaking together with an excited state calculation. The spectroscopic constants obtained with the present methods are found to be in very good agreement with the full configuration interaction results. As the present formalism does not use any parameter or numerically unstable operation, the curves obtained with the two methods are smooth all along the dissociation path.

  15. Binding affinities of the farnesoid X receptor in the D3R Grand Challenge 2 estimated by free-energy perturbation and docking

    Science.gov (United States)

    Olsson, Martin A.; García-Sosa, Alfonso T.; Ryde, Ulf

    2018-01-01

    We have studied the binding of 102 ligands to the farnesoid X receptor within the D3R Grand Challenge 2016 blind-prediction competition. First, we employed docking with five different docking software and scoring functions. The selected docked poses gave an average root-mean-squared deviation of 4.2 Å. Consensus scoring gave decent results with a Kendall's τ of 0.26 ± 0.06 and a Spearman's ρ of 0.41 ± 0.08. For a subset of 33 ligands, we calculated relative binding free energies with free-energy perturbation. Five transformations between the ligands involved a change of the net charge and we implemented and benchmarked a semi-analytic correction (Rocklin et al., J Chem Phys 139:184103, 2013) for artifacts caused by the periodic boundary conditions and Ewald summation. The results gave a mean absolute deviation of 7.5 kJ/mol compared to the experimental estimates and a correlation coefficient of R 2 = 0.1. These results were among the four best in this competition out of 22 submissions. The charge corrections were significant (7-8 kJ/mol) and always improved the results. By employing 23 intermediate states in the free-energy perturbation, there was a proper overlap between all states and the precision was 0.1-0.7 kJ/mol. However, thermodynamic cycles indicate that the sampling was insufficient in some of the perturbations.

  16. Gas hydrate inhibition by perturbation of liquid water structure

    Science.gov (United States)

    Sa, Jeong-Hoon; Kwak, Gye-Hoon; Han, Kunwoo; Ahn, Docheon; Lee, Kun-Hong

    2015-06-01

    Natural gas hydrates are icy crystalline materials that contain hydrocarbons, which are the primary energy source for this civilization. The abundance of naturally occurring gas hydrates leads to a growing interest in exploitation. Despite their potential as energy resources and in industrial applications, there is insufficient understanding of hydrate kinetics, which hinders the utilization of these invaluable resources. Perturbation of liquid water structure by solutes has been proposed to be a key process in hydrate inhibition, but this hypothesis remains unproven. Here, we report the direct observation of the perturbation of the liquid water structure induced by amino acids using polarized Raman spectroscopy, and its influence on gas hydrate nucleation and growth kinetics. Amino acids with hydrophilic and/or electrically charged side chains disrupted the water structure and thus provided effective hydrate inhibition. The strong correlation between the extent of perturbation by amino acids and their inhibition performance constitutes convincing evidence for the perturbation inhibition mechanism. The present findings bring the practical applications of gas hydrates significantly closer, and provide a new perspective on the freezing and melting phenomena of naturally occurring gas hydrates.

  17. Kinetic energy of shakeoff atomic electrons from 37K β+ decay

    Science.gov (United States)

    Behr, J. A.; Gorelov, A.; Farfan, C.; Smale, S.; Olchanski, K.; Kurchananov, L.; Anholm, M.; Behling, R. S.; Fenker, B.; Shidling, P. D.; Mehlman, M.; Melconian, D.; Ashery, D.; Gwinner, G.; Trinat Collaboration

    2013-10-01

    We have measured the kinetic energies from 0 to 30 eV of atomic shakeoff electrons from the β+ decay of 37K. Despite much experimental and theoretical work on the distribution of final ion charge states, shakeoff electrons from β- decay have only been measured with energies above 150 eV [Mitrokhovich, Nucl. Phys. Atom. Energy, 11, 125 (2010)]. We use our magneto-optical trap's time-varying magnetic quadrupole field combined with a uniform electric field as a spectrometer. Our result has more 15 eV electrons than a model using the sudden approximation and hydrogenic wavefunctions [Levinger, Phys. Rev. 90, 11 (1958)]. The total energy carried away by electrons is, as expected, a negligible correction to superallowed Ft values. Understanding the energy of these low-energy electrons is important for their use in precision β decay to select events coming from trapped atoms and start time-of-flight for the recoil ions. Our results could provide a benchmark for shakeoff electron calculations used for biological radiation damage [Lee, Comp. Math. Meth in Medicine doi:10.1155/2012/651475]. Support: NSERC, NRC through TRIUMF, DOE ER41747 ER40773, State of Texas, Israel Science Foundation.

  18. Precise control of Si(001) initial oxidation by translational kinetic energy of O2 molecules

    International Nuclear Information System (INIS)

    Teraoka, Yuden; Yoshigoe, Akitaka

    2002-01-01

    The influence of translation kinetic energy of incident O 2 molecules on the passive oxidation of the clean Si(001) surface and the partially oxidized-Si(001) surface has been studied by high-resolution photoemission spectroscopy using synchrotron radiation. The incident energy of O 2 molecules was controlled up to 3 eV by a supersonic seeded molecular beam technique. Although two incident energy thresholds (1.0 eV and 2.6 eV) have been determined for the partially oxidized-surface oxidation in accordance with the first-principle calculation, the monotonic increase of oxygen saturation coverage was observed for the clean surface oxidation. The difference is caused by the initial dangling bond termination (Si-H and Si-OH) on the partially oxidized surface. Si-2p and O-1s photoemission spectra measured at representative incident energies showed the incident-energy-induced oxidation at the back bonds of Si dimers and the second-layer (subsurface) Si atoms. Moreover, the low-and high-binding-energy components in the O-1s photoemission spectra were assigned to bridge site oxygen and dangling bond site oxygen for the partially oxidized-surface oxidation. (author)

  19. Design and kinetic analysis of piezoelectric energy harvesters with self-adjusting resonant frequency

    Science.gov (United States)

    Yu-Jen, Wang; Tsung-Yi, Chuang; Jui-Hsin, Yu

    2017-09-01

    Vibration-based energy harvesters have been developed as power sources for wireless sensor networks. Because the vibration frequency of the environment is varied with surrounding conditions, how to design an adaptive energy harvester is a practical topic. This paper proposes a design for a piezoelectric energy harvester possessing the ability to self-adjust its resonant frequency in rotational environments. The effective length of a trapezoidal cantilever is extended by centrifugal force from a rotating wheel to vary its area moment of inertia. The analytical solution for the natural frequency of the piezoelectric energy harvester was derived from the parameter design process, which could specify a structure approaching resonance at any wheel rotating frequency. The kinetic equation and electrical damping induced by power generation were derived from a Lagrange method and a mechanical-electrical coupling model, respectively. An energy harvester with adequate parameters can generate power at a wide range of car speeds. The output power of an experimental prototype composed of piezoelectric thin films and connected to a 3.3 MΩ external resistor was approximately 70-140 μW at wheel speeds ranging from 200 to 700 RPM. These results demonstrate that the proposed piezoelectric energy harvester can be applied as a power source for the wireless tire pressure monitoring sensor.

  20. Relative solvation free energies calculated using an ab initio QM/MM-based free energy perturbation method: dependence of results on simulation length.

    Science.gov (United States)

    Reddy, M Rami; Erion, Mark D

    2009-12-01

    Molecular dynamics (MD) simulations in conjunction with thermodynamic perturbation approach was used to calculate relative solvation free energies of five pairs of small molecules, namely; (1) methanol to ethane, (2) acetone to acetamide, (3) phenol to benzene, (4) 1,1,1 trichloroethane to ethane, and (5) phenylalanine to isoleucine. Two studies were performed to evaluate the dependence of the convergence of these calculations on MD simulation length and starting configuration. In the first study, each transformation started from the same well-equilibrated configuration and the simulation length was varied from 230 to 2,540 ps. The results indicated that for transformations involving small structural changes, a simulation length of 860 ps is sufficient to obtain satisfactory convergence. In contrast, transformations involving relatively large structural changes, such as phenylalanine to isoleucine, require a significantly longer simulation length (>2,540 ps) to obtain satisfactory convergence. In the second study, the transformation was completed starting from three different configurations and using in each case 860 ps of MD simulation. The results from this study suggest that performing one long simulation may be better than averaging results from three different simulations using a shorter simulation length and three different starting configurations.

  1. Energy Transfer Kinetics in Photosynthesis as an Inspiration for Improving Organic Solar Cells.

    Science.gov (United States)

    Nganou, Collins; Lackner, Gerhard; Teschome, Bezu; Deen, M Jamal; Adir, Noam; Pouhe, David; Lupascu, Doru C; Mkandawire, Martin

    2017-06-07

    Clues to designing highly efficient organic solar cells may lie in understanding the architecture of light-harvesting systems and exciton energy transfer (EET) processes in very efficient photosynthetic organisms. Here, we compare the kinetics of excitation energy tunnelling from the intact phycobilisome (PBS) light-harvesting antenna system to the reaction center in photosystem II in intact cells of the cyanobacterium Acaryochloris marina with the charge transfer after conversion of photons into photocurrent in vertically aligned carbon nanotube (va-CNT) organic solar cells with poly(3-hexyl)thiophene (P3HT) as the pigment. We find that the kinetics in electron hole creation following excitation at 600 nm in both PBS and va-CNT solar cells to be 450 and 500 fs, respectively. The EET process has a 3 and 14 ps pathway in the PBS, while in va-CNT solar cell devices, the charge trapping in the CNT takes 11 and 258 ps. We show that the main hindrance to efficiency of va-CNT organic solar cells is the slow migration of the charges after exciton formation.

  2. Kinetic energy classification and smoothing for compact B-spline basis sets in quantum Monte Carlo

    Science.gov (United States)

    Krogel, Jaron T.; Reboredo, Fernando A.

    2018-01-01

    Quantum Monte Carlo calculations of defect properties of transition metal oxides have become feasible in recent years due to increases in computing power. As the system size has grown, availability of on-node memory has become a limiting factor. Saving memory while minimizing computational cost is now a priority. The main growth in memory demand stems from the B-spline representation of the single particle orbitals, especially for heavier elements such as transition metals where semi-core states are present. Despite the associated memory costs, splines are computationally efficient. In this work, we explore alternatives to reduce the memory usage of splined orbitals without significantly affecting numerical fidelity or computational efficiency. We make use of the kinetic energy operator to both classify and smooth the occupied set of orbitals prior to splining. By using a partitioning scheme based on the per-orbital kinetic energy distributions, we show that memory savings of about 50% is possible for select transition metal oxide systems. For production supercells of practical interest, our scheme incurs a performance penalty of less than 5%.

  3. Microscopic distribution functions, structure, and kinetic energy of liquid and solid neon: Quantum Monte Carlo simulations

    International Nuclear Information System (INIS)

    Neumann, Martin; Zoppi, Marco

    2002-01-01

    We have performed extensive path integral Monte Carlo simulations of liquid and solid neon, in order to derive the kinetic energy as well as the single-particle and pair distribution functions of neon atoms in the condensed phases. From the single-particle distribution function n(r) one can derive the momentum distribution and thus obtain an independent estimate of the kinetic energy. The simulations have been carried out using mostly the semiempirical HFD-C2 pair potential by Aziz et al. [R. A. Aziz, W. J. Meath, and A. R. Allnatt, Chem. Phys. 79, 295 (1983)], but, in a few cases, we have also used the Lennard-Jones potential. The differences between the potentials, as measured by the properties investigated, are not very large, especially when compared with the actual precision of the experimental data. The simulation results have been compared with all the experimental information that is available from neutron scattering. The overall agreement with the experiments is very good

  4. Hypovalency--a kinetic-energy density description of a 4c-2e bond.

    Science.gov (United States)

    Jacobsen, Heiko

    2009-06-07

    A bond descriptor based on the kinetic energy density, the localized-orbital locator (LOL), is used to characterize the nature of the chemical bond in electron deficient multi-center bonds. The boranes B(2)H(6), B(4)H(4), B(4)H(10), [B(6)H(6)](2-), and [B(6)H(7)](-) serve as prototypical examples of hypovalent 3c-2e and 4c-2e bonding. The kinetic energy density is derived from a set of Kohn-Sham orbitals obtained from pure density functional calculations (PBE/TZVP), and the topology of LOL is analyzed in terms of (3,-3) attractors (Gamma). The B-B-B and B-H-B 3c-2e, and the B-B-H-B 4c-2e bonding situations are defined by their own characteristic LOL profiles. The presence of one attractor in relation to the three or four atoms that are engaged in electron deficient bonding provides sufficient indication of the type of 3c-2e or 4c-2e bond present. For the 4c-2e bond in [B(6)H(7)](-) the LOL analysis is compared to results from an experimental QTAIM study.

  5. Study on the kinetics of high-energy phosphates in myocardium by phosphorous nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Kusuoka, Hideo; Tsuneoka, Yutaka; Inoue, Michitoshi; Abe, Hiroshi [Osaka Univ. (Japan). Faculty of Medicine; Watari, Hiroshi

    1982-12-01

    Effect of artificial blood, FC 43 (Perfluorochemicals) on the kinetics of high-energy phosphate in the myocardium was evaluated by /sup 31/P-NMR which permits a continuous and non-invasive assessment of in vivo phosphorus compounds. Cardiac perfusion was carried out on a excised rat heart with a Krebs-Henseleit modified solution and FC 43 alternately. Under the normal condition, ischemic condition, and at second perfusion amounts of intramyocardial creatine phosphoric acid, ATP, and inorganic phosphorus were determined by /sup 31/P-NMR. Coronary flow was simultaneously estimated. The ischemic state due to interruption of perfusion resulted in a decrease in creatine phosphoric acid, which was associated with an increase in inorganic phosphorus and intracellular acidosis. No change of ATP amount was observed under ischemic state. With resumption of perfusion, the levels of creatine phosphoric acid and inorganic phosphorus rapidly returned to the normal. In the group of FC 43, coronary flow was 2.68 ml/min/g of the heart weight, about 1/2 of that of the Krebs-Henseleit group (5.68 ml/min/g of the heart weight). In controls, there was no difference between the two groups concerning creatine phosphoric acid level and recovery of creatine phospohric acid level after ischemia. These results showed that FC 43 supplies sufficient oxygen, and has no effect on the kinetics of energy in the myocardium.

  6. Kinetic energy density and agglomerate abrasion rate during blending of agglomerates into powders.

    Science.gov (United States)

    Willemsz, Tofan A; Hooijmaijers, Ricardo; Rubingh, Carina M; Tran, Thanh N; Frijlink, Henderik W; Vromans, Herman; van der Voort Maarschalk, Kees

    2012-01-23

    Problems related to the blending of a cohesive powder with a free flowing bulk powder are frequently encountered in the pharmaceutical industry. The cohesive powder often forms lumps or agglomerates which are not dispersed during the mixing process and are therefore detrimental to blend uniformity. Achieving sufficient blend uniformity requires that the blending conditions are able to break up agglomerates, which is often an abrasion process. This study was based on the assumption that the abrasion rate of agglomerates determines the required blending time. It is shown that the kinetic energy density of the moving powder bed is a relevant parameter which correlates with the abrasion rate of agglomerates. However, aspects related to the strength of agglomerates should also be considered. For this reason the Stokes abrasion number (St(Abr)) has been defined. This parameter describes the ratio between the kinetic energy density of the moving powder bed and the work of fracture of the agglomerate. The St(Abr) number is shown to predict the abrasion potential of agglomerates in the dry-mixing process. It appeared possible to include effects of filler particle size and impeller rotational rate into this concept. A clear relationship between abrasion rate of agglomerates and the value of St(Abr) was demonstrated. Copyright © 2011 Elsevier B.V. All rights reserved.

  7. Bed turbulent kinetic energy boundary conditions for trapping efficiency and spatial distribution of sediments in basins.

    Science.gov (United States)

    Isenmann, Gilles; Dufresne, Matthieu; Vazquez, José; Mose, Robert

    2017-10-01

    The purpose of this study is to develop and validate a numerical tool for evaluating the performance of a settling basin regarding the trapping of suspended matter. The Euler-Lagrange approach was chosen to model the flow and sediment transport. The numerical model developed relies on the open source library OpenFOAM ® , enhanced with new particle/wall interaction conditions to limit sediment deposition in zones with favourable hydrodynamic conditions (shear stress, turbulent kinetic energy). In particular, a new relation is proposed for calculating the turbulent kinetic energy threshold as a function of the properties of each particle (diameter and density). The numerical model is compared to three experimental datasets taken from the literature and collected for scale models of basins. The comparison of the numerical and experimental results permits concluding on the model's capacity to predict the trapping of particles in a settling basin with an absolute error in the region of 5% when the sediment depositions occur over the entire bed. In the case of sediment depositions localised in preferential zones, their distribution is reproduced well by the model and trapping efficiency is evaluated with an absolute error in the region of 10% (excluding cases of particles with very low density).

  8. Current redistribution and generation of kinetic energy in the stagnated Z pinch.

    Science.gov (United States)

    Ivanov, V V; Anderson, A A; Papp, D; Astanovitskiy, A L; Talbot, B R; Chittenden, J P; Niasse, N

    2013-07-01

    The structure of magnetic fields was investigated in stagnated wire-array Z pinches using a Faraday rotation diagnostic at the wavelength of 266 nm. The distribution of current in the pinch and trailing material was reconstructed. A significant part of current can switch from the main pinch to the trailing plasma preheated by x-ray radiation of the pinch. Secondary implosions of trailing plasma generate kinetic energy and provide enhanced heating and radiation of plasma at stagnation. Hot spots in wire-array Z pinches also provide enhanced radiation of the Z pinch. A collapse of a single hot spot radiates 1%-3% of x-ray energy of the Z pinch with a total contribution of hot spots of 10%-30%.

  9. Data on kinetic, energy and emission performance of biodiesel from waste frying oil

    Directory of Open Access Journals (Sweden)

    Silverio Catureba da Silva Filho

    2018-06-01

    Full Text Available The data presented in this article are related to the research article “Environmental and techno-economic considerations on biodiesel production from waste frying oil in São Paulo city” (Silva Filho et al., 2018 [1]. This article presents the variation of the concentration of waste frying oil (WFO with the reaction time and temperature during the transesterification of WTOs collected in the residences and restaurants of the city of São Paulo. Then, the biodiesel samples were mixed with the S-10 diesel oil in order to obtain the B10, B20, B30, B40, B50, B75 and B100 blends, which were tested in a diesel engine and their power, fuel consumption and gas emissions (CO, CO2 and SO2 have been measured to verify their greenhouse effect and energy efficiency. Keywords: Biodiesel, Kinetic curves, Greenhouse gas emission, Energy efficiency

  10. Spontaneous transfer of magnetically stored energy to Kinetic energy by electric double layers

    International Nuclear Information System (INIS)

    Lindberg, L.; Torven, S.

    1983-05-01

    Current disruptions are investigated in a magnetized plasma column with an inductive external electric circuit. It is found that they persist in spite of the fact that each disruption gives rise to a large inductive over-voltage. This drops off at an electric double layer formed in the plasma where most of the magnetic energy, initially stored in the circuit inductance, is released as particle energy. Simultanously as the current disrupts, the potential level at a local potential minimum in the plasma decreases. This is expected to cause the disruption by reflection of electrons. (authors)

  11. Effective atomic numbers, electron densities and kinetic energy released in matter of vitamins for photon interaction

    Science.gov (United States)

    Shantappa, A.; Hanagodimath, S. M.

    2014-01-01

    Effective atomic numbers, electron densities of some vitamins (Retinol, Riboflavin, Niacin, Biotin, Folic acid, Cobalamin, Phylloquinone and Flavonoids) composed of C, H, O, N, Co, P and S have been calculated for total and partial photon interactions by the direct method for energy range 1 keV-100 GeV by using WinXCOM and kinetic energy released in matter (Kerma) relative to air is calculated in energy range of 1 keV-20 MeV. Change in effective atomic number and electron density with energy is calculated for all photon interactions. Variation of photon mass attenuation coefficients with energy are shown graphically only for total photon interaction. It is observed that change in mass attenuation coefficient with composition of different chemicals is very large below 100 keV and moderate between 100 keV and 10 MeV and negligible above 10 MeV. Behaviour of vitamins is almost indistinguishable except biotin and cobalamin because of large range of atomic numbers from 1(H) to 16 (S) and 1(H) to 27(Co) respectively. K a value shows a peak due to the photoelectric effect around K-absorption edge of high- Z constituent of compound for biotin and cobalamin.

  12. Chiral perturbation theory

    International Nuclear Information System (INIS)

    Ecker, G.

    1996-06-01

    After a general introduction to the structure of effective field theories, the main ingredients of chiral perturbation theory are reviewed. Applications include the light quark mass ratios and pion-pion scattering to two-loop accuracy. In the pion-nucleon system, the linear σ model is contrasted with chiral perturbation theory. The heavy-nucleon expansion is used to construct the effective pion-nucleon Lagrangian to third order in the low-energy expansion, with applications to nucleon Compton scattering. (author)

  13. Cauchy horizon stability in a collapsing spherical dust cloud: II. Energy bounds for test fields and odd-parity gravitational perturbations

    Science.gov (United States)

    Ortiz, Néstor; Sarbach, Olivier

    2018-01-01

    We analyze the stability of the Cauchy horizon associated with a globally naked, shell-focussing singularity arising from the complete gravitational collapse of a spherical dust cloud. In a previous work, we have studied the dynamics of spherical test scalar fields on such a background. In particular, we proved that such fields cannot develop any divergences which propagate along the Cauchy horizon. In the present work, we extend our analysis to the more general case of test fields without symmetries and to linearized gravitational perturbations with odd parity. To this purpose, we first consider test fields possessing a divergence-free stress-energy tensor satisfying the dominant energy condition, and we prove that a suitable energy norm is uniformly bounded in the domain of dependence of the initial slice. In particular, this result implies that free-falling observers co-moving with the dust particles measure a finite energy of the field, even as they cross the Cauchy horizon at points lying arbitrarily close to the central singularity. Next, for the case of Klein–Gordon fields, we derive point-wise bounds from our energy estimates which imply that the scalar field cannot diverge at the Cauchy horizon, except possibly at the central singular point. Finally, we analyze the behaviour of odd-parity, linear gravitational and dust perturbations of the collapsing spacetime. Similarly to the scalar field case, we prove that the relevant gauge-invariant combinations of the metric perturbations stay bounded away from the central singularity, implying that no divergences can propagate in the vacuum region. Our results are in accordance with previous numerical studies and analytic work in the self-similar case.

  14. Perturbative QCD (1/3)

    CERN Multimedia

    CERN. Geneva

    2013-01-01

    Perturbative QCD is the general theoretical framework for describing hard scattering processes yielding multiparticle production at hadron colliders. In these lectures, we shall introduce fundamental features of perturbative QCD and describe its application to several high energy collider processes, including jet production in electron-positron annihilation, deep inelastic scattering, Higgs boson and gauge boson production at the LHC.

  15. Fourth-order terms in the diagrammatic perturbation expansion for the electronic energy of atoms and molecules

    International Nuclear Information System (INIS)

    Wilson, S.; Silver, D.M.

    1979-01-01

    Third-order diagrammatic perturbation theory provides a simple and accurate description of the electronic structure of atoms and molecules beyond that afforded by independent electron models. The largest corrections to such treatments, the fourth-order terms, are presented and discussed. All of the diagrams, which arise when the closed-shell Hartree--Fock function is utilized as a reference function, are given through fourth order. 18 references

  16. Energy analyses and drying kinetics of chamomile leaves in microwave-convective dryer

    Directory of Open Access Journals (Sweden)

    Ali Motevali

    2016-06-01

    Full Text Available Drying characteristics and energy aspects as well as mathematical modeling of thin layer drying kinetics of chamomile in a microwave-convective dryer are reported in this article. Drying experiments were carried out at 8 microwave power levels (200–900 W, air temperature of 50 °C, and air velocity of 0.5 m/s. Increasing the microwave output power from 200 to 900 W, decreased the drying time from 40 to 10 min. The drying process took place in the falling rate period. The Midilli et al. model showed the best fit to the experimental drying data. Moisture diffusivity values increase with decreasing moisture content down to 1.70 (kg water kg−1 dry matter but decrease with a further decrease in moisture content from 1.72 to 0.96 (kg water kg−1 dry matter. The average values of Deff increased with microwave power from 5.46 to 39.63 × 10−8 (m2 s−1. Energy consumption increased and energy efficiency decreased with moisture content of chamomile samples. Average specific energy consumption, energy efficiency and energy loss varied in the range 18.93–28.15 MJ kg−1 water, 8.25–13.07% and 16.79–26.01 MJ kg−1 water, respectively, while the best energy results were obtained at 400 W, 50 °C and 0.5 m s−1.

  17. Kinetic-energy distributions of O- produced by dissociative electron attachment to physisorbed O2

    International Nuclear Information System (INIS)

    Huels, M.A.; Parenteau, L.; Michaud, M.; Sanche, L.

    1995-01-01

    We report measurements of the kinetic energy (E k ) distributions of O - produced by low-energy electron impact (5.5--19.5 eV) on disordered multilayers of O 2 physisorbed on a polycrystalline Pt substrate. The results confirm that dissociative electron attachment (DEA) proceeds via the formation of the 2 Π u , 2 Σ g + (I), and 2 Σ x + (II) (x=g and/or u) states of O 2 -* . We also find evidence for an additional resonance, namely the 2 Σ u + (I), positioned at about 10 eV above the neutral ground state in the Franck-Condon region, and dissociating into O - +O( 3 P). The measurements suggest that the autodetachment lifetimes of the 2 Σ u + (I) and 2 Σ g + (II) states may be longer than previously suggested. It is also observed that the effects of electron energy loss (EEL) in the solid prior to DEA, O - scattering in the solid after dissociation, and the charge-induced polarization energy of the solid, broaden the E k distributions, shift them to lower anion energies, and result in additional structure in them. The effects of EEL on the desorption dynamics of O - are estimated from high-resolution electron-energy-loss spectra and excitation functions for losses in the vicinity of the Schumann-Runge continuum of the physisorbed O 2 molecules. We find indications for an enhancement of the optically forbidden X 3 Σ g - →A 3 Σ u + transition, and observe that the gas-phase Rydberg bands, for energy losses above 7 eV, are not distinguishable in the condensed phase

  18. Effects of Neutron Emission on Fragment Mass and Kinetic Energy Distribution from Thermal Neutron-Induced Fission of 235U

    International Nuclear Information System (INIS)

    Montoya, M.; Rojas, J.; Saetone, E.

    2007-01-01

    The mass and kinetic energy distribution of nuclear fragments from thermal neutron-induced fission of 235 U(n th ,f) have been studied using a Monte-Carlo simulation. Besides reproducing the pronounced broadening in the standard deviation of the kinetic energy at the final fragment mass number around m = 109, our simulation also produces a second broadening around m = 125. These results are in good agreement with the experimental data obtained by Belhafaf et al. and other results on yield of mass. We conclude that the obtained results are a consequence of the characteristics of the neutron emission, the sharp variation in the primary fragment kinetic energy and mass yield curves. We show that because neutron emission is hazardous to make any conclusion on primary quantities distribution of fragments from experimental results on final quantities distributions

  19. Report of the panel on the use of depleted uranium alloys for large caliber long rod kinetic energy penetrators

    International Nuclear Information System (INIS)

    Sandstrom, D.J.; Jessen, N.; Loewenstein, P.; Weirick, L.

    1980-01-01

    In early 1977 the National Materials Advisory Board, an operating unit in the Commission on Sociotechnical Systems of the National Research Council, NAS/NAE, formed a study committee on High Density Materials for Kinetic Energy Penetrators. The Specific objectives of the Committee were defined as follows. Assess the potential of two materials for use in kinetic energy penetrators, including such factors as: (a) properties (as applied to this application: strength, toughness, and dynamic behavior); (b) uniformity, reliability and reproducibility; (c) deterioration in storage; (d) production capability; (e) ecological impact; (f) quality assurance; (g) availability, and (h) cost. The Committee was divided into two Panels; one panel devoted to the study of tungsten alloys and the other devoted to the study of depleted uranium alloys for use in Kinetic energy penetrators. This report represents the findings and recommendation of the Panel on Uranium

  20. Kinetic and electron-electron energies for convex sums of ground state densities with degeneracies and fractional electron number

    Energy Technology Data Exchange (ETDEWEB)

    Levy, Mel, E-mail: ayers@mcmaster.ca, E-mail: mlevy@tulane.edu [Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States); Department of Physics, North Carolina A and T State University, Greensboro, North Carolina 27411 (United States); Department of Chemistry, Tulane University, New Orleans, Louisiana 70118 (United States); Anderson, James S. M.; Zadeh, Farnaz Heidar; Ayers, Paul W., E-mail: ayers@mcmaster.ca, E-mail: mlevy@tulane.edu [Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario (Canada)

    2014-05-14

    Properties of exact density functionals provide useful constraints for the development of new approximate functionals. This paper focuses on convex sums of ground-level densities. It is observed that the electronic kinetic energy of a convex sum of degenerate ground-level densities is equal to the convex sum of the kinetic energies of the individual degenerate densities. (The same type of relationship holds also for the electron-electron repulsion energy.) This extends a known property of the Levy-Valone Ensemble Constrained-Search and the Lieb Legendre-Transform refomulations of the Hohenberg-Kohn functional to the individual components of the functional. Moreover, we observe that the kinetic and electron-repulsion results also apply to densities with fractional electron number (even if there are no degeneracies), and we close with an analogous point-wise property involving the external potential. Examples where different degenerate states have different kinetic energy and electron-nuclear attraction energy are given; consequently, individual components of the ground state electronic energy can change abruptly when the molecular geometry changes. These discontinuities are predicted to be ubiquitous at conical intersections, complicating the development of universally applicable density-functional approximations.

  1. Kinetic energy of solid and liquid para-hydrogen: a path integral Monte Carlo simulation

    International Nuclear Information System (INIS)

    Zoppi, M.; Neumann, M.

    1992-01-01

    The translational (center of mass) kinetic energy of solid and liquid para-hydrogen have been recently measured by means of Deep Inelastic Neutron Scattering. We have evaluated the same quantity, in similar thermodynamic conditions, by means of Path Integral Monte Carlo computer simulation, modelling the system as composed of a set of spherical molecules interacting through a pairwise additive Lennard-Jones potential. In spite of the crude approximations on the interaction potential, the agreement is excellent. The pressure was also computed by means of the same simulations. This quantity, compared with the equation of state for solid para-hydrogen given by Driessen and Silvera, gives an agreement of a lesser quality and a negative value for the liquid state. We attribute this discrepancy to the limitations of the Lennard-Jones potential. (orig.)

  2. Electromagnetic response in kinetic energy driven cuprate superconductors: Linear response approach

    International Nuclear Information System (INIS)

    Krzyzosiak, Mateusz; Huang, Zheyu; Feng, Shiping; Gonczarek, Ryszard

    2010-01-01

    Within the framework of the kinetic energy driven superconductivity, the electromagnetic response in cuprate superconductors is studied in the linear response approach. The kernel of the response function is evaluated and employed to calculate the local magnetic field profile, the magnetic field penetration depth, and the superfluid density, based on the specular reflection model for a purely transverse vector potential. It is shown that the low temperature magnetic field profile follows an exponential decay at the surface, while the magnetic field penetration depth depends linearly on temperature, except for the strong deviation from the linear characteristics at extremely low temperatures. The superfluid density is found to decrease linearly with decreasing doping concentration in the underdoped regime. The problem of gauge invariance is addressed and an approximation for the dressed current vertex, which does not violate local charge conservation is proposed and discussed.

  3. Scalar cosmological perturbations

    International Nuclear Information System (INIS)

    Uggla, Claes; Wainwright, John

    2012-01-01

    Scalar perturbations of Friedmann-Lemaitre cosmologies can be analyzed in a variety of ways using Einstein's field equations, the Ricci and Bianchi identities, or the conservation equations for the stress-energy tensor, and possibly introducing a timelike reference congruence. The common ground is the use of gauge invariants derived from the metric tensor, the stress-energy tensor, or from vectors associated with a reference congruence, as basic variables. Although there is a complication in that there is no unique choice of gauge invariants, we will show that this can be used to advantage. With this in mind our first goal is to present an efficient way of constructing dimensionless gauge invariants associated with the tensors that are involved, and of determining their inter-relationships. Our second goal is to give a unified treatment of the various ways of writing the governing equations in dimensionless form using gauge-invariant variables, showing how simplicity can be achieved by a suitable choice of variables and normalization factors. Our third goal is to elucidate the connection between the metric-based approach and the so-called 1 + 3 gauge-invariant approach to cosmological perturbations. We restrict our considerations to linear perturbations, but our intent is to set the stage for the extension to second-order perturbations. (paper)

  4. Unified dark energy and dust dark matter dual to quadratic purely kinetic K-essence

    International Nuclear Information System (INIS)

    Guendelman, Eduardo; Nissimov, Emil; Pacheva, Svetlana

    2016-01-01

    We consider a modified gravity plus single scalar-field model, where the scalar Lagrangian couples symmetrically both to the standard Riemannian volume-form (spacetime integration measure density) given by the square root of the determinant of the Riemannian metric, as well as to another non-Riemannian volume-form in terms of an auxiliary maximal-rank antisymmetric tensor gauge field. As shown in a previous paper, the pertinent scalar-field dynamics provides an exact unified description of both dark energy via dynamical generation of a cosmological constant, and dark matter as a ''dust'' fluid with geodesic flow as a result of a hidden Noether symmetry. Here we extend the discussion by considering a non-trivial modification of the purely gravitational action in the form of f(R) = R -αR 2 generalized gravity. Upon deriving the corresponding ''Einstein-frame'' effective action of the latter modified gravity-scalar-field theory we find explicit duality (in the sense of weak versus strong coupling) between the original model of unified dynamical dark energy and dust fluid dark matter, on one hand, and a specific quadratic purely kinetic ''k-essence'' gravity-matter model with special dependence of its coupling constants on only two independent parameters, on the other hand. The canonical Hamiltonian treatment and Wheeler-DeWitt quantization of the dual purely kinetic ''k-essence'' gravity-matter model is also briefly discussed. (orig.)

  5. Kinetic mean field theories: Results of energy constraint in maximizing entropy

    NARCIS (Netherlands)

    Stell, G.; Karkheck, J.; Beijeren, H. van

    1983-01-01

    Structure of liquids and solids; crystallography Classical, semiclassical, and quantum theories of liquid structure Statistical theories of liquid structure - Kinetic and transport theory of fluids; physical properties of gases Kinetic and transport theory

  6. Cascade of kinetic energy and scalar variance in DC electrokinetic turbulence

    Science.gov (United States)

    Zhao, Wei; Wang, Guiren

    2017-11-01

    Turbulent flow can be generated by DC electrokinetic (EK) force based on the electric conductivity and permittivity variations in fluids, as have been demonstrated by Varshney et al (2016), where a -1.4 slope of velocity power spectrum is observed. Here, we theoretically found the scaling exponents of velocity and scalar structures in the electric-body-force (EBF) dominant subregion of DC EK turbulence were 2/5 (equivalent to the -7/5 slope of velocity power spectrum) and 4/5 respectively. The theory perfectly explains the experimental results of Varshney et al. (2016). Based on Kármán-Howarth equation with forcing terms, the energy cascade process of DC EK turbulence was also investigated. Depending on the electric Rayleigh number (Rae) , two different energy cascade processes may happen. When Rae is small, the kinetic energy cascades along inertial subregion and EBF dominant subregion in sequence, before it is dissipated by fluid viscosity. When Rae is sufficiently large, the inertial subregion may be absent with EBF dominant subregion left. This investigation is very important on understand EK turbulence, which could be widely existed in nature and applied in engineerings. The work was supported by NSFC (11672229), and NSF (CAREER CBET-0954977 and MRI CBET-1040227).

  7. Thermogravimetric study and kinetic analysis of fungal pretreated corn stover using the distributed activation energy model.

    Science.gov (United States)

    Ma, Fuying; Zeng, Yelin; Wang, Jinjin; Yang, Yang; Yang, Xuewei; Zhang, Xiaoyu

    2013-01-01

    Non-isothermal thermogravimetry/derivative thermogravimetry (TG/DTG) measurements are used to determine pyrolytic characteristics and kinetics of lignocellulose. TG/DTG experiments at different heating rates with corn stover pretreated with monocultures of Irpex lacteus CD2 and Auricularia polytricha AP and their cocultures were conducted. Heating rates had little effect on the pyrolysis process, but the peak of weight loss rate in the DTG curves shifted towards higher temperature with heating rate. The maximum weight loss of biopretreated samples was 1.25-fold higher than that of the control at the three heating rates, and the maximum weight loss rate of the co-culture pretreated samples was intermediate between that of the two mono-cultures. The activation energies of the co-culture pretreated samples were 16-72 kJ mol(-1) lower than that of the mono-culture at the conversion rate range from 10% to 60%. This suggests that co-culture pretreatment can decrease activation energy and accelerate pyrolysis reaction thus reducing energy consumption. Copyright © 2012 Elsevier Ltd. All rights reserved.

  8. Preliminary results of total kinetic energy modelling for neutron-induced fission

    International Nuclear Information System (INIS)

    Visan, I.; Giubega, G.; Tudora, A.

    2015-01-01

    The total kinetic energy as a function of fission fragments mass TKE(A) is an important quantity entering in prompt emission calculations. The experimentally distributions of TKE(A) are referring to a limited number of fission systems and incident energies. In the present paper, a preliminary model for TKE calculation in neutron induced fission system is presented. The range of fission fragments is chosen as in the Point by Point treatment. The model needs as input only mass excesses and deformation parameters taken from available nuclear databases being based on the following approximations: total excitation energy of fully accelerated fission fragments TXE is calculated from energy balance of neutron-induced fission systems as sum of the total excitation energy at scission E*sciss and deformation energy Edef. The deformation energy at scission is given by minimizing the potential energy at the scission configuration. At the scission point, the fission system is described by two spheroidal fragments nearly touching by a pre-scission distance or neck caused by the nuclear forces between fragments. Therefore, the Columbian repulsion depending on neck and, consequently, on the fragments deformation at scission, is essentially in TKE determination. An approximation is made based on the fission modes. For the very symmetric fission, the dominant super long channel is characterized by long distance between fragments leading to low TKE values. Due to magic and double-magic shells closure, the dominant S1 fission mode for pairs with heavy fragment mass AH around 130-134 is characterized by spherical heavy fragment shape and easily deformed light fragment. The nearly spherical shape of the complementary fragments are characterized by minimum distance, and consequently to maximum TKE values. The results obtained for TKE(A) are in good agreement with existing experimental data for many neutron induced fission systems, e.g. ''2''3''3&apos

  9. H+H- interaction up to higher orders of perturbation theory in the model with two Higgs doublets (self-energy and vertex diagrams)

    International Nuclear Information System (INIS)

    Dvoeglazov, V.V.; Skachkov, N.B.

    1991-01-01

    Self-energy and vertex blocks that enter into the amplitude of Higgs-Higgs-interaction are calculated up to the fourth order of perturbation theory in the framework of the model of electroweak interaction with two Higgs doublets and an arbitrary number of fermions. The renormalization is performed on the mass shell of the physical fields after a spontaneous symmetry breaking. The values of the coupling constants are, as a rule, not concretized in the paper. In the cases where it is needed to use them, their values obtained in the model with the minimal supersymmetric extension of the standard model (MSSM) are taken. 29 refs.; 1 tab

  10. Development and analysis of prognostic equations for mesoscale kinetic energy and mesoscale (subgrid scale) fluxes for large-scale atmospheric models

    Science.gov (United States)

    Avissar, Roni; Chen, Fei

    1993-01-01

    Generated by landscape discontinuities (e.g., sea breezes) mesoscale circulation processes are not represented in large-scale atmospheric models (e.g., general circulation models), which have an inappropiate grid-scale resolution. With the assumption that atmospheric variables can be separated into large scale, mesoscale, and turbulent scale, a set of prognostic equations applicable in large-scale atmospheric models for momentum, temperature, moisture, and any other gaseous or aerosol material, which includes both mesoscale and turbulent fluxes is developed. Prognostic equations are also developed for these mesoscale fluxes, which indicate a closure problem and, therefore, require a parameterization. For this purpose, the mean mesoscale kinetic energy (MKE) per unit of mass is used, defined as E-tilde = 0.5 (the mean value of u'(sub i exp 2), where u'(sub i) represents the three Cartesian components of a mesoscale circulation (the angle bracket symbol is the grid-scale, horizontal averaging operator in the large-scale model, and a tilde indicates a corresponding large-scale mean value). A prognostic equation is developed for E-tilde, and an analysis of the different terms of this equation indicates that the mesoscale vertical heat flux, the mesoscale pressure correlation, and the interaction between turbulence and mesoscale perturbations are the major terms that affect the time tendency of E-tilde. A-state-of-the-art mesoscale atmospheric model is used to investigate the relationship between MKE, landscape discontinuities (as characterized by the spatial distribution of heat fluxes at the earth's surface), and mesoscale sensible and latent heat fluxes in the atmosphere. MKE is compared with turbulence kinetic energy to illustrate the importance of mesoscale processes as compared to turbulent processes. This analysis emphasizes the potential use of MKE to bridge between landscape discontinuities and mesoscale fluxes and, therefore, to parameterize mesoscale fluxes

  11. Comminution of solids caused by kinetic energy of high shear strain rate, with implications for impact, shock, and shale fracturing.

    Science.gov (United States)

    Bazant, Zdenek P; Caner, Ferhun C

    2013-11-26

    Although there exists a vast literature on the dynamic comminution or fragmentation of rocks, concrete, metals, and ceramics, none of the known models suffices for macroscopic dynamic finite element analysis. This paper outlines the basic idea of the macroscopic model. Unlike static fracture, in which the driving force is the release of strain energy, here the essential idea is that the driving force of comminution under high-rate compression is the release of the local kinetic energy of shear strain rate. The density of this energy at strain rates >1,000/s is found to exceed the maximum possible strain energy density by orders of magnitude, making the strain energy irrelevant. It is shown that particle size is proportional to the -2/3 power of the shear strain rate and the 2/3 power of the interface fracture energy or interface shear stress, and that the comminution process is macroscopically equivalent to an apparent shear viscosity that is proportional (at constant interface stress) to the -1/3 power of this rate. A dimensionless indicator of the comminution intensity is formulated. The theory was inspired by noting that the local kinetic energy of shear strain rate plays a role analogous to the local kinetic energy of eddies in turbulent flow.

  12. Neutron spectrum perturbations due to scattering materials and their effect on the average neutron energy, the spectral index, and the hardness parameter

    International Nuclear Information System (INIS)

    Wright, H.L.; Meason, J.L.; Wolf, M.; Harvey, J.T.

    1976-01-01

    Measurements have been performed on the perturbing effect of a number of scattering materials by the 'free-field' neutron leakage spectrum from a Godiva Type Critical Assembly (White Sands Missile Range Fast Burst Reactor). The results of these measurements are interpreted in relation to some of the general parameters characterizing a neutron environment, namely, the average neutron energy >10 KeV, the spectral index and the hardness parameter. Three neutron spectrum measurements have been performed, each under different experimental configurations of scattering materials. Results from these measurements show the following with relation to the spectral index: (1) The neutron environment on the core surface and at 12-inches from the core surface (free-field) yield a spectral index of 6.8, (2) The neutron environment behind a 4.75-inch Plexiglas plate yield 4.6 for the spectral index and (3) The neutron environment behind a 2-inch aluminum plate yield 6.7 for the spectral index. It is concluded that the core surface and the 12-inch from core surface neutron environment are identical with the 'free-field' neutron environment at 20-inches when considering only those neutrons with energy >10 KeV. On the other hand, it appears that the 4.75 inches of Plexiglas severely perturbs the 'free-field' neutron environment, i.e., a much harder neutron spectrum >10 KeV. In the situation where 2-inches of aluminum is used as the perturbing medium, essentially no change in the neutron spectrum >10 KeV is noted

  13. Measurement of turbulent spatial structure and kinetic energy spectrum by exact temporal-to-spatial mapping

    Science.gov (United States)

    Buchhave, Preben; Velte, Clara M.

    2017-08-01

    We present a method for converting a time record of turbulent velocity measured at a point in a flow to a spatial velocity record consisting of consecutive convection elements. The spatial record allows computation of dynamic statistical moments such as turbulent kinetic wavenumber spectra and spatial structure functions in a way that completely bypasses the need for Taylor's hypothesis. The spatial statistics agree with the classical counterparts, such as the total kinetic energy spectrum, at least for spatial extents up to the Taylor microscale. The requirements for applying the method are access to the instantaneous velocity magnitude, in addition to the desired flow quantity, and a high temporal resolution in comparison to the relevant time scales of the flow. We map, without distortion and bias, notoriously difficult developing turbulent high intensity flows using three main aspects that distinguish these measurements from previous work in the field: (1) The measurements are conducted using laser Doppler anemometry and are therefore not contaminated by directional ambiguity (in contrast to, e.g., frequently employed hot-wire anemometers); (2) the measurement data are extracted using a correctly and transparently functioning processor and are analysed using methods derived from first principles to provide unbiased estimates of the velocity statistics; (3) the exact mapping proposed herein has been applied to the high turbulence intensity flows investigated to avoid the significant distortions caused by Taylor's hypothesis. The method is first confirmed to produce the correct statistics using computer simulations and later applied to measurements in some of the most difficult regions of a round turbulent jet—the non-equilibrium developing region and the outermost parts of the developed jet. The proposed mapping is successfully validated using corresponding directly measured spatial statistics in the fully developed jet, even in the difficult outer regions of

  14. Maximizing kinetic energy transfer in one-dimensional many-body collisions

    International Nuclear Information System (INIS)

    Ricardo, Bernard; Lee, Paul

    2015-01-01

    The main problem discussed in this paper involves a simple one-dimensional two-body collision, in which the problem can be extended into a chain of one-dimensional many-body collisions. The result is quite interesting, as it provides us with a thorough mathematical understanding that will help in designing a chain system for maximum energy transfer for a range of collision types. In this paper, we will show that there is a way to improve the kinetic energy transfer between two masses, and the idea can be applied recursively. However, this method only works for a certain range of collision types, which is indicated by a range of coefficients of restitution. Although the concept of momentum, elastic and inelastic collision, as well as Newton’s laws, are taught in junior college physics, especially in Singapore schools, students in this level are not expected to be able to do this problem quantitatively, as it requires rigorous mathematics, including calculus. Nevertheless, this paper provides nice analytical steps that address some common misconceptions in students’ way of thinking about one-dimensional collisions. (paper)

  15. Accurate core ionization potentials and photoelectron kinetic energies for light elements

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, T D [Oregon State Univ., Corvallis; Shaw, Jr, R W

    1974-01-01

    By electron spectroscopy accurate values have been determined for the neon 1s ionization potential (870.312 +- .017 eV) and the neon Auger (/sup 1/D/sub 2/) kinetic energy (804.557 +- .017 eV). Using these together with the neon 2s ionization potential for calibration, 1s ionization potentials have been determined for CF/sub 4/ (C = 301.96, F = 695.57), CO/sub 2/ (C = 297.71, O = 541.32), N/sub 2/ (N = 409.93) and ionization potentials for Ar (2s = 326.37, 2p/sub /sup 3///sub 2// = 248.60, 2p/sub /sup 1///sub 2// = 250.70). These are known with an accuracy of 0.05 eV. The results are in good agreement with those of other measurements but have significantly smaller uncertainties. Comparison is made between experimental and theoretical ionization potentials. The value for neon is quite close to a recently reported theoretical value of 870.0 eV. The relativistic corrections for a cylindrical mirror analyzer, which are much smaller at low energies than would be expected from an approximate formula, are discussed.

  16. Maximizing kinetic energy transfer in one-dimensional many-body collisions

    Science.gov (United States)

    Ricardo, Bernard; Lee, Paul

    2015-03-01

    The main problem discussed in this paper involves a simple one-dimensional two-body collision, in which the problem can be extended into a chain of one-dimensional many-body collisions. The result is quite interesting, as it provides us with a thorough mathematical understanding that will help in designing a chain system for maximum energy transfer for a range of collision types. In this paper, we will show that there is a way to improve the kinetic energy transfer between two masses, and the idea can be applied recursively. However, this method only works for a certain range of collision types, which is indicated by a range of coefficients of restitution. Although the concept of momentum, elastic and inelastic collision, as well as Newton’s laws, are taught in junior college physics, especially in Singapore schools, students in this level are not expected to be able to do this problem quantitatively, as it requires rigorous mathematics, including calculus. Nevertheless, this paper provides nice analytical steps that address some common misconceptions in students’ way of thinking about one-dimensional collisions.

  17. INVESTIGATION OF THE KINETICS OF BLACK CURRANT BERRIES DRYING INSIDE THE VACUUM APPARATUS WITH MICROWAVE ENERGY SUPPLY

    Directory of Open Access Journals (Sweden)

    S. T. Antipov

    2013-01-01

    Full Text Available Results of the conducted pilot researches of drying of fruits of black currant in the vacuum apparatus with microwave energy supply are presented. The new way of drying and installation for its implementation is offered. The influence of major factors on kinetics of drying and temperature of heating of black currant is studied.

  18. The Study of Prompt and Delayed Muon Induced Fission. I.Total kinetic energies and mass distributions

    NARCIS (Netherlands)

    David, P; Hartfiel, J.; Janszen, H.; Petitjean, C.; Reist, H.W.; Polikanov, S.M.; Konijn, J.; Laat, de C.T.A.M.; Taal, A.; Krogulski, T.; Johansson, T.; Tibell, G.; Achard van Enschut, d' J.F.M.

    1987-01-01

    Mass yield and total kinetic energy release (TKE) distributions of fragments from prompt and delayed muon induced fission, separately, have been measured for the isotopes235U,238U,237Np and242Pu. The distributions from prompt muon induced fission are compared with the corresponding distributions

  19. Neutron emission effects on fragment mass and kinetic energy distribution from fission of 239Pu induced by thermal neutrons

    International Nuclear Information System (INIS)

    Montoya, M.; Rojas, J.; Lobato, I.

    2010-01-01

    The average of fragment kinetic energy (E-bar sign*) and the multiplicity of prompt neutrons (ν(bar sign)) as a function of fragment mass (m*), as well as the fragment mass yield (Y(m*)) from thermal neutron-induced fission of 239 Pu have been measured by Tsuchiya et al.. In that work the mass and kinetic energy are calculated from the measured kinetic energy of one fragment and the difference of time of flight of the two complementary fragments. However they do not present their results about the standard deviation σ E *(m*). In this work we have made a numerical simulation of that experiment which reproduces its results, assuming an initial distribution of the primary fragment kinetic energy (E(A)) with a constant value of the standard deviation as function of fragment mass (σ E (A)). As a result of the simulation we obtain the dependence σ E *(m*) which presents an enhancement between m* = 92 and m* = 110, and a peak at m* = 121.

  20. Disformal transformation of cosmological perturbations

    Directory of Open Access Journals (Sweden)

    Masato Minamitsuji

    2014-10-01

    Full Text Available We investigate the gauge-invariant cosmological perturbations in the gravity and matter frames in the general scalar–tensor theory where two frames are related by the disformal transformation. The gravity and matter frames are the extensions of the Einstein and Jordan frames in the scalar–tensor theory where two frames are related by the conformal transformation, respectively. First, it is shown that the curvature perturbation in the comoving gauge to the scalar field is disformally invariant as well as conformally invariant, which gives the predictions from the cosmological model where the scalar field is responsible both for inflation and cosmological perturbations. Second, in case that the disformally coupled matter sector also contributes to curvature perturbations, we derive the evolution equations of the curvature perturbation in the uniform matter energy density gauge from the energy (nonconservation in the matter sector, which are independent of the choice of the gravity sector. While in the matter frame the curvature perturbation in the uniform matter energy density gauge is conserved on superhorizon scales for the vanishing nonadiabatic pressure, in the gravity frame it is not conserved even if the nonadiabatic pressure vanishes. The formula relating two frames gives the amplitude of the curvature perturbation in the matter frame, once it is evaluated in the gravity frame.

  1. Disformal transformation of cosmological perturbations

    International Nuclear Information System (INIS)

    Minamitsuji, Masato

    2014-01-01

    We investigate the gauge-invariant cosmological perturbations in the gravity and matter frames in the general scalar–tensor theory where two frames are related by the disformal transformation. The gravity and matter frames are the extensions of the Einstein and Jordan frames in the scalar–tensor theory where two frames are related by the conformal transformation, respectively. First, it is shown that the curvature perturbation in the comoving gauge to the scalar field is disformally invariant as well as conformally invariant, which gives the predictions from the cosmological model where the scalar field is responsible both for inflation and cosmological perturbations. Second, in case that the disformally coupled matter sector also contributes to curvature perturbations, we derive the evolution equations of the curvature perturbation in the uniform matter energy density gauge from the energy (non)conservation in the matter sector, which are independent of the choice of the gravity sector. While in the matter frame the curvature perturbation in the uniform matter energy density gauge is conserved on superhorizon scales for the vanishing nonadiabatic pressure, in the gravity frame it is not conserved even if the nonadiabatic pressure vanishes. The formula relating two frames gives the amplitude of the curvature perturbation in the matter frame, once it is evaluated in the gravity frame

  2. Jet energy loss in quark-gluon plasma. Kinetic theory with a Bhatnagar-Gross-Krook collisional kernel

    Energy Technology Data Exchange (ETDEWEB)

    Han, Cheng; Hou, De-fu; Li, Jia-rong [Central China Normal University, Key Laboratory of Quark and Lepton Physics (MOE) and Institute of Particle Physics, Wuhan, Hubei (China); Jiang, Bing-feng [Hubei University for Nationalities, Center for Theoretical Physics and School of Sciences, Enshi, Hubei (China)

    2017-10-15

    The dielectric functions ε{sub L}, ε{sub T} of the quark-gluon plasma (QGP) are derived within the framework of the kinetic theory with BGK-type collisional kernel. The collision effect manifested by the collision rate is encoded in the dielectric functions. Based on the derived dielectric functions we study the collisional energy loss suffered by a fast parton traveling through the QGP. The numerical results show that the collision rate increases the energy loss. (orig.)

  3. Maximal Rashba-like spin splitting via kinetic-energy-coupled inversion-symmetry breaking

    Science.gov (United States)

    Sunko, Veronika; Rosner, H.; Kushwaha, P.; Khim, S.; Mazzola, F.; Bawden, L.; Clark, O. J.; Riley, J. M.; Kasinathan, D.; Haverkort, M. W.; Kim, T. K.; Hoesch, M.; Fujii, J.; Vobornik, I.; MacKenzie, A. P.; King, P. D. C.

    2017-09-01

    Engineering and enhancing the breaking of inversion symmetry in solids—that is, allowing electrons to differentiate between ‘up’ and ‘down’—is a key goal in condensed-matter physics and materials science because it can be used to stabilize states that are of fundamental interest and also have potential practical applications. Examples include improved ferroelectrics for memory devices and materials that host Majorana zero modes for quantum computing. Although inversion symmetry is naturally broken in several crystalline environments, such as at surfaces and interfaces, maximizing the influence of this effect on the electronic states of interest remains a challenge. Here we present a mechanism for realizing a much larger coupling of inversion-symmetry breaking to itinerant surface electrons than is typically achieved. The key element is a pronounced asymmetry of surface hopping energies—that is, a kinetic-energy-coupled inversion-symmetry breaking, the energy scale of which is a substantial fraction of the bandwidth. Using spin- and angle-resolved photoemission spectroscopy, we demonstrate that such a strong inversion-symmetry breaking, when combined with spin-orbit interactions, can mediate Rashba-like spin splittings that are much larger than would typically be expected. The energy scale of the inversion-symmetry breaking that we achieve is so large that the spin splitting in the CoO2- and RhO2-derived surface states of delafossite oxides becomes controlled by the full atomic spin-orbit coupling of the 3d and 4d transition metals, resulting in some of the largest known Rashba-like spin splittings. The core structural building blocks that facilitate the bandwidth-scaled inversion-symmetry breaking are common to numerous materials. Our findings therefore provide opportunities for creating spin-textured states and suggest routes to interfacial control of inversion-symmetry breaking in designer heterostructures of oxides and other material classes.

  4. Molecular dynamics study of the nanosized droplet spreading: The effect of the contact line forces on the kinetic energy dissipation

    International Nuclear Information System (INIS)

    Yoon, Hong Min; Kondaraju, Sasidhar; Lee, Jung Shin; Suh, Youngho; Lee, Joonho H.; Lee, Joon Sang

    2017-01-01

    Highlights: • Contact line forces, including friction and spreading forces are directly calculated. • Overall trends of variations in contact line forces during droplet spreading process show characteristics of contact line forces. • Detail relations of contact line forces and atomic kinetics in the contact line provide a clear evidence of the possible energy dissipation mechanism in droplet spreading process. - Abstract: Recent studies have revealed that contact line forces play an important role in the droplet spreading process. Despite their significance, the physics related to them has been studied only indirectly and the effect of contact line forces is still being disputed. We performed a molecular dynamics simulation and mimicked the droplet spreading process at the nanoscale. Based on the results of the simulation, the contact line forces were directly calculated. We found that the forces acting on the bulk and the contact line region showed different trends. Distinct positive and negative forces, contact line spreading, and friction forces were observed near the contact line. We also observed a strong dependency of the atomic kinetics in the contact line region on the variations in the contact line forces. The atoms of the liquid in the contact line region lost their kinetic energy due to the contact line friction force and became partially immobile on the solid surface. The results of the current study will be useful for understanding the role of the contact line forces on the kinetic energy dissipation in the contact line region.

  5. Molecular dynamics study of the nanosized droplet spreading: The effect of the contact line forces on the kinetic energy dissipation

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Hong Min [Department of Mechanical Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Kondaraju, Sasidhar [Department of Mechanical Science, Indian Institute of Technology Bhubaneswar, Bhubaneswar, Odisha 751013 (India); Lee, Jung Shin [Department of Mechanical Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of); Suh, Youngho; Lee, Joonho H. [Samsung Electronics, Mechatronics R& D Center, Hwaseong-si, Gyeonggi-do 445-330 (Korea, Republic of); Lee, Joon Sang, E-mail: joonlee@yonsei.ac.kr [Department of Mechanical Engineering, Yonsei University, Seoul 120-749 (Korea, Republic of)

    2017-07-01

    Highlights: • Contact line forces, including friction and spreading forces are directly calculated. • Overall trends of variations in contact line forces during droplet spreading process show characteristics of contact line forces. • Detail relations of contact line forces and atomic kinetics in the contact line provide a clear evidence of the possible energy dissipation mechanism in droplet spreading process. - Abstract: Recent studies have revealed that contact line forces play an important role in the droplet spreading process. Despite their significance, the physics related to them has been studied only indirectly and the effect of contact line forces is still being disputed. We performed a molecular dynamics simulation and mimicked the droplet spreading process at the nanoscale. Based on the results of the simulation, the contact line forces were directly calculated. We found that the forces acting on the bulk and the contact line region showed different trends. Distinct positive and negative forces, contact line spreading, and friction forces were observed near the contact line. We also observed a strong dependency of the atomic kinetics in the contact line region on the variations in the contact line forces. The atoms of the liquid in the contact line region lost their kinetic energy due to the contact line friction force and became partially immobile on the solid surface. The results of the current study will be useful for understanding the role of the contact line forces on the kinetic energy dissipation in the contact line region.

  6. Kinetic equations with pairing correlations

    International Nuclear Information System (INIS)

    Fauser, R.

    1995-12-01

    The Gorkov equations are derived for a general non-equilibrium system. The Gorkov factorization is generalized by the cumulant expansion of the 2-particle correlation and by a generalized Wick theorem in the case of a perturbation expansion. A stationary solution for the Green functions in the Schwinger-Keldysh formalism is presented taking into account pairing correlations. Especially the effects of collisional broadening on the spectral functions and Green functions is discussed. Kinetic equations are derived in the quasi-particle approximation and in the case of particles with width. Explicit expressions for the self-energies are given. (orig.)

  7. arXiv A non-perturbative exploration of the high energy regime in $N_\\text{f}=3$ QCD

    CERN Document Server

    Dalla Brida, Mattia; Korzec, Tomasz; Ramos, Alberto; Sint, Stefan; Sommer, Rainer

    Using continuum extrapolated lattice data we trace a family of running couplings in three-flavour QCD over a large range of scales from about 4 to 128 GeV. The scale is set by the finite space time volume so that recursive finite size techniques can be applied, and Schr\\"odinger functional (SF) boundary conditions enable direct simulations in the chiral limit. Compared to earlier studies we have improved on both statistical and systematic errors. Using the SF coupling to implicitly define a reference scale $1/L_0\\approx 4$ GeV through $\\bar{g}^2(L_0) =2.012$, we quote $L_0 \\Lambda^{N_{\\rm f}=3}_{\\overline{\\rm MS}} =0.0791(21)$. This error is dominated by statistics; in particular, the remnant perturbative uncertainty is negligible and very well controlled, by connecting to infinite renormalization scale from different scales $2^n/L_0$ for $n=0,1,\\ldots,5$. An intermediate step in this connection may involve any member of a one-parameter family of SF couplings. This provides an excellent opportunity for tests ...

  8. A method for measurements of neutral fragments kinetic energies released to a specific dissociation threshold: optical translational spectroscopy

    International Nuclear Information System (INIS)

    Roney, A.; Frigon, C.; Larzilliere, M.

    1999-01-01

    The optical translational spectroscopy technique, based on the principles of fast ion beam laser spectroscopy (FIBLAS) and translational spectroscopy, allows the kinetic energies study of neutral fragments released through free dissociation of a neutral molecule. This method presents interesting features such as near-threshold energy measurements and selection of a specific dissociation limit. The fragments resulting from free dissociation (not induced) of neutral molecules, produced by charge exchange processes with a fast ion beam, are probed by laser radiation. Monitoring of the laser-induced fluorescence allows high-resolution spectra due to the kinematic compression of the velocity spread. Measurements of kinetic energies released to the second limit of dissociation H(1s) + H(2l) of H 2 are put forth and compared with those obtained by means of off-axis translational spectroscopy

  9. Ab initio correlated study of the Al13H- anion: Isomers, their kinetic stability and vertical detachment energies

    Science.gov (United States)

    Moc, Jerzy

    2012-01-01

    We report correlated ab initio calculations for the Al13H- cluster anion isomers, their kinetic stability and vertical detachment energies (VDEs). Of the two most energetically favored anion structures involving H atom in terminal and threefold bridged sites of the icosahedral Al13-, the higher energy ‘threefold bridged' isomer is shown to be of low kinetic stability. Our results are consistent with the recent photoelectron spectroscopy (PE) study of Grubisic et al. who observed two distinct Al13H- isomers, one of them identified as ‘metastable'. The VDE energies computed at the CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pVDZ level for the ‘terminal' and ‘threefold bridged' Al13H- isomers of 3.21 and 2.32 eV are in good agreement with those determined in the PE study.

  10. Total kinetic energy in four global eddying ocean circulation models and over 5000 current meter records

    KAUST Repository

    Scott, Robert B.

    2010-01-01

    We compare the total kinetic energy (TKE) in four global eddying ocean circulation simulations with a global dataset of over 5000, quality controlled, moored current meter records. At individual mooring sites, there was considerable scatter between models and observations that was greater than estimated statistical uncertainty. Averaging over all current meter records in various depth ranges, all four models had mean TKE within a factor of two of observations above 3500. m, and within a factor of three below 3500. m. With the exception of observations between 20 and 100. m, the models tended to straddle the observations. However, individual models had clear biases. The free running (no data assimilation) model biases were largest below 2000. m. Idealized simulations revealed that the parameterized bottom boundary layer tidal currents were not likely the source of the problem, but that reducing quadratic bottom drag coefficient may improve the fit with deep observations. Data assimilation clearly improved the model-observation comparison, especially below 2000. m, despite assimilated data existing mostly above this depth and only south of 47°N. Different diagnostics revealed different aspects of the comparison, though in general the models appeared to be in an eddying-regime with TKE that compared reasonably well with observations. © 2010 Elsevier Ltd.

  11. Smoothing Control of Wind Farm Output by Using Kinetic Energy of Variable Speed Wind Power Generators

    Science.gov (United States)

    Sato, Daiki; Saitoh, Hiroumi

    This paper proposes a new control method for reducing fluctuation of power system frequency through smoothing active power output of wind farm. The proposal is based on the modulation of rotaional kinetic energy of variable speed wind power generators through power converters between permanent magnet synchronous generators (PMSG) and transmission lines. In this paper, the proposed control is called Fluctuation Absorption by Flywheel Characteristics control (FAFC). The FAFC can be easily implemented by adding wind farm output signal to Maximum Power Point Tracking control signal through a feedback control loop. In order to verify the effectiveness of the FAFC control, a simulation study was carried out. In the study, it was assumed that the wind farm consisting of PMSG type wind power generator and induction machine type wind power generaotors is connected with a power sysem. The results of the study show that the FAFC control is a useful method for reducing the impacts of wind farm output fluctuation on system frequency without additional devices such as secondary battery.

  12. On the mean kinetic energy of the proton in strong hydrogen bonded systems

    Energy Technology Data Exchange (ETDEWEB)

    Finkelstein, Y. [Nuclear Research Center–Negev, Beer-Sheva 84190 (Israel); Moreh, R. [Physics Department, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel); Shang, S. L.; Wang, Y.; Liu, Z. K. [Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Shchur, Ya. [Institute for Condensed Matter Physics, 1 Svientsitskii str., L’viv 79011 (Ukraine)

    2016-02-07

    The mean atomic kinetic energies of the proton, Ke(H), and of the deuteron, Ke(D), were calculated in moderate and strongly hydrogen bonded (HB) systems, such as the ferro-electric crystals of the KDP type (XH{sub 2}PO{sub 4}, X = K, Cs, Rb, Tl), the DKDP (XD{sub 2}PO{sub 4}, X = K, Cs, Rb) type, and the X{sub 3}H(SO{sub 4}){sub 2} superprotonic conductors (X = K, Rb). All calculations utilized the simulated partial phonon density of states, deduced from density functional theory based first-principle calculations and from empirical lattice dynamics simulations in which the Coulomb, short range, covalent, and van der Waals interactions were accounted for. The presently calculated Ke(H) values for the two systems were found to be in excellent agreement with published values obtained by deep inelastic neutron scattering measurements carried out using the VESUVIO instrument of the Rutherford Laboratory, UK. The Ke(H) values of the M{sub 3}H(SO{sub 4}){sub 2} compounds, in which the hydrogen bonds are centro-symmetric, are much lower than those of the KDP type crystals, in direct consistency with the oxygen-oxygen distance R{sub OO}, being a measure of the HB strength.

  13. Observations of the turbulent kinetic energy dissipation rate in the upper central South China Sea

    Science.gov (United States)

    Liang, Chang-Rong; Chen, Gui-Ying; Shang, Xiao-Dong

    2017-05-01

    Measurements of the turbulent kinetic energy dissipation rate ( ɛ), velocity, temperature, and salinity were obtained for the upper ocean of the central South China Sea (14.5° N, 117.0° E) during an experimental campaign from May 11 to 13, 2010. Dissipation in the diurnal mixed layer showed a diurnal variability that was strongly affected by the surface buoyancy flux. Dissipation was enhanced ( ɛ ˜ 10-7 W kg-1) at night due to the convective mixing and was weakened ( ɛ ˜ 10-9 W kg-1) in daytime due to the stratification. Dissipation in the thermocline varied with time under the influence of internal waves. Shear from high-frequency internal waves (period ˜8 h) played an important role in enhancing the turbulent mixing in the thermocline. In the period of strong high-frequency internal waves, the shear from high-frequency internal waves became strong and the depth-averaged ɛ in the thermocline was elevated by almost one order of magnitude. Compared with the dissipation in the thermocline, dissipation below was weaker (the time-averaged ɛ ˜ 10-10 W kg-1). The observation indicates that the dissipation rates during the measurements can be parameterized by the MacKinnon-Gregg model that is widely used in the continental shelf but are not in agreement with the Gregg-Henyey model used for the open ocean.

  14. Large-scale kinetic energy spectra from Eulerian analysis of EOLE wind data

    Science.gov (United States)

    Desbois, M.

    1975-01-01

    A data set of 56,000 winds determined from the horizontal displacements of EOLE balloons at the 200 mb level in the Southern Hemisphere during the period October 1971-February 1972 is utilized for the computation of planetary- and synoptic-scale kinetic energy space spectra. However, the random distribution of measurements in space and time presents some problems for the spectral analysis. Two different approaches are used, i.e., a harmonic analysis of daily wind values at equi-distant points obtained by space-time interpolation of the data, and a correlation method using the direct measurements. Both methods give similar results for small wavenumbers, but the second is more accurate for higher wavenumbers (k above or equal to 10). The spectra show a maximum at wavenumbers 5 and 6 due to baroclinic instability and then decrease for high wavenumbers up to wavenumber 35 (which is the limit of the analysis), according to the inverse power law k to the negative p, with p close to 3.

  15. A spectral chart method for estimating the mean turbulent kinetic energy dissipation rate

    Science.gov (United States)

    Djenidi, L.; Antonia, R. A.

    2012-10-01

    We present an empirical but simple and practical spectral chart method for determining the mean turbulent kinetic energy dissipation rate DNS spectra, points to this scaling being also valid at small Reynolds numbers, provided effects due to inhomogeneities in the flow are negligible. The methods avoid the difficulty associated with estimating time or spatial derivatives of the velocity fluctuations. It also avoids using the second hypothesis of K41, which implies the existence of a -5/3 inertial subrange only when the Taylor microscale Reynods number R λ is sufficiently large. The method is in fact applied to the lower wavenumber end of the dissipative range thus avoiding most of the problems due to inadequate spatial resolution of the velocity sensors and noise associated with the higher wavenumber end of this range.The use of spectral data (30 ≤ R λ ≤ 400) in both passive and active grid turbulence, a turbulent mixing layer and the turbulent wake of a circular cylinder indicates that the method is robust and should lead to reliable estimates of < \\varepsilon rangle in flows or flow regions where the first similarity hypothesis should hold; this would exclude, for example, the region near a wall.

  16. Kinetic energy of He atoms in liquid 4He-3He mixtures

    International Nuclear Information System (INIS)

    Senesi, R.; Andreani, C.; Fielding, A.L.; Mayers, J.; Stirling, W.G.

    2003-01-01

    Deep inelastic neutron scattering measurements on liquid 3 He- 4 He mixtures in the normal phase have been performed on the VESUVIO spectrometer at the ISIS pulsed neutron source at exchanged wave vectors of about q≅120.0 A -1 . The neutron Compton profiles J(y) of the mixtures were measured along the T=1.96 K isotherm for 3 He concentrations, x, ranging from 0.1 to 1.0 at saturated vapor pressures. Values of kinetic energies of 3 He and 4 He atoms as a function of x, (x), were extracted from the second moment of J(y). The present determinations of (x) confirm previous experimental findings for both isotopes and, in the case of 3 He, a substantial disagreement with theory is found. In particular (x) for the 3 He atoms is found to be independent of concentration yielding a value 3 (x=0.1)≅12 K, much lower than the value suggested by the most recent theoretical estimates of approximately 19 K

  17. On the mean kinetic energy of the proton in strong hydrogen bonded systems

    International Nuclear Information System (INIS)

    Finkelstein, Y.; Moreh, R.; Shang, S. L.; Wang, Y.; Liu, Z. K.; Shchur, Ya.

    2016-01-01

    The mean atomic kinetic energies of the proton, Ke(H), and of the deuteron, Ke(D), were calculated in moderate and strongly hydrogen bonded (HB) systems, such as the ferro-electric crystals of the KDP type (XH 2 PO 4 , X = K, Cs, Rb, Tl), the DKDP (XD 2 PO 4 , X = K, Cs, Rb) type, and the X 3 H(SO 4 ) 2 superprotonic conductors (X = K, Rb). All calculations utilized the simulated partial phonon density of states, deduced from density functional theory based first-principle calculations and from empirical lattice dynamics simulations in which the Coulomb, short range, covalent, and van der Waals interactions were accounted for. The presently calculated Ke(H) values for the two systems were found to be in excellent agreement with published values obtained by deep inelastic neutron scattering measurements carried out using the VESUVIO instrument of the Rutherford Laboratory, UK. The Ke(H) values of the M 3 H(SO 4 ) 2 compounds, in which the hydrogen bonds are centro-symmetric, are much lower than those of the KDP type crystals, in direct consistency with the oxygen-oxygen distance R OO , being a measure of the HB strength

  18. Kinetics and dynamics of near-resonant vibrational energy transfer in gas ensembles of atmospheric interest

    Science.gov (United States)

    McCaffery, Anthony J.

    2018-03-01

    This study of near-resonant, vibration-vibration (V-V) gas-phase energy transfer in diatomic molecules uses the theoretical/computational method, of Marsh & McCaffery (Marsh & McCaffery 2002 J. Chem. Phys. 117, 503 (doi:10.1063/1.1489998)) The method uses the angular momentum (AM) theoretical formalism to compute quantum-state populations within the component molecules of large, non-equilibrium, gas mixtures as the component species proceed to equilibration. Computed quantum-state populations are displayed in a number of formats that reveal the detailed mechanism of the near-resonant V-V process. Further, the evolution of quantum-state populations, for each species present, may be followed as the number of collision cycles increases, displaying the kinetics of evolution for each quantum state of the ensemble's molecules. These features are illustrated for ensembles containing vibrationally excited N2 in H2, O2 and N2 initially in their ground states. This article is part of the theme issue `Modern theoretical chemistry'.

  19. Energy resolution and efficiency of phonon-mediated kinetic inductance detectors for light detection

    International Nuclear Information System (INIS)

    Cardani, L.; Colantoni, I.; Coppolecchia, A.; Cruciani, A.; Vignati, M.; Bellini, F.; Casali, N.; Cosmelli, C.; Di Domizio, S.; Castellano, M. G.; Tomei, C.

    2015-01-01

    The development of sensitive cryogenic light detectors is of primary interest for bolometric experiments searching for rare events like dark matter interactions or neutrino-less double beta decay. Thanks to their good energy resolution and the natural multiplexed read-out, Kinetic Inductance Detectors (KIDs) are particularly suitable for this purpose. To efficiently couple KIDs-based light detectors to the large crystals used by the most advanced bolometric detectors, active surfaces of several cm 2 are needed. For this reason, we are developing phonon-mediated detectors. In this paper, we present the results obtained with a prototype consisting of four 40 nm thick aluminum resonators patterned on a 2 × 2 cm 2 silicon chip, and calibrated with optical pulses and X-rays. The detector features a noise resolution σ E  = 154 ± 7 eV and an (18 ± 2)% efficiency

  20. Non-additive non-interacting kinetic energy of rare gas dimers

    Science.gov (United States)

    Jiang, Kaili; Nafziger, Jonathan; Wasserman, Adam

    2018-03-01

    Approximations of the non-additive non-interacting kinetic energy (NAKE) as an explicit functional of the density are the basis of several electronic structure methods that provide improved computational efficiency over standard Kohn-Sham calculations. However, within most fragment-based formalisms, there is no unique exact NAKE, making it difficult to develop general, robust approximations for it. When adjustments are made to the embedding formalisms to guarantee uniqueness, approximate functionals may be more meaningfully compared to the exact unique NAKE. We use numerically accurate inversions to study the exact NAKE of several rare-gas dimers within partition density functional theory, a method that provides the uniqueness for the exact NAKE. We find that the NAKE decreases nearly exponentially with atomic separation for the rare-gas dimers. We compute the logarithmic derivative of the NAKE with respect to the bond length for our numerically accurate inversions as well as for several approximate NAKE functionals. We show that standard approximate NAKE functionals do not reproduce the correct behavior for this logarithmic derivative and propose two new NAKE functionals that do. The first of these is based on a re-parametrization of a conjoint Perdew-Burke-Ernzerhof (PBE) functional. The second is a simple, physically motivated non-decomposable NAKE functional that matches the asymptotic decay constant without fitting.

  1. Energy resolution and efficiency of phonon-mediated kinetic inductance detectors for light detection

    Energy Technology Data Exchange (ETDEWEB)

    Cardani, L., E-mail: laura.cardani@roma1.infn.it [Dipartimento di Fisica, Sapienza Università di Roma, Piazzale Aldo Moro 2, 00185 Roma (Italy); Physics Department, Princeton University, Washington Road, 08544, Princeton, New Jersey (United States); Colantoni, I.; Coppolecchia, A. [Dipartimento di Fisica, Sapienza Università di Roma, Piazzale Aldo Moro 2, 00185 Roma (Italy); Cruciani, A.; Vignati, M.; Bellini, F.; Casali, N.; Cosmelli, C. [Dipartimento di Fisica, Sapienza Università di Roma, Piazzale Aldo Moro 2, 00185 Roma (Italy); INFN - Sezione di Roma, Piazzale Aldo Moro 2, 00185 Roma (Italy); Di Domizio, S. [Dipartimento di Fisica, Università degli Studi di Genova, Via Dodecaneso 33, 16146 Genova (Italy); INFN - Sezione di Genova, Via Dodecaneso 33, 16146 Genova (Italy); Castellano, M. G. [Istituto di Fotonica e Nanotecnologie - CNR, Via Cineto Romano 42, 00156 Roma (Italy); Tomei, C. [INFN - Sezione di Roma, Piazzale Aldo Moro 2, 00185 Roma (Italy)

    2015-08-31

    The development of sensitive cryogenic light detectors is of primary interest for bolometric experiments searching for rare events like dark matter interactions or neutrino-less double beta decay. Thanks to their good energy resolution and the natural multiplexed read-out, Kinetic Inductance Detectors (KIDs) are particularly suitable for this purpose. To efficiently couple KIDs-based light detectors to the large crystals used by the most advanced bolometric detectors, active surfaces of several cm{sup 2} are needed. For this reason, we are developing phonon-mediated detectors. In this paper, we present the results obtained with a prototype consisting of four 40 nm thick aluminum resonators patterned on a 2 × 2 cm{sup 2} silicon chip, and calibrated with optical pulses and X-rays. The detector features a noise resolution σ{sub E} = 154 ± 7 eV and an (18 ± 2)% efficiency.

  2. Spatial structure of kinetic energy spectra in LES simulations of flow in an offshore wind farm

    Science.gov (United States)

    Fruh, Wolf-Gerrit; Creech, Angus

    2017-04-01

    The evolution of wind turbine and wind farm wakes was investigated numerically for the case of Lillgrund wind farm consisting of a tightly packed array of 48 turbines. The simulations for a number of wind directions at a free wind speed of just under the rated wind speed in a neutrally stable atmosphere were carried out using Large-Eddy Simulations with the adaptive Finite-Element CFD solver Fluidity. The results were interpolated from the irregularly spaced mesh nodes onto a regular grid with comparable spatial resolution at horizontal slices at various heights. To investigate the development of the wake as the flow evolves through the array, spectra of the kinetic energy in sections perpendicular to the wind directions within the wake and to the sides of the array were calculated. This paper will present the key features and spectral slopes of the flow as a function of downstream distance from the front turbine through and beyond the array. The main focus will be on the modification of the spectra as the flow crosses a row of turbines followed by its decay in the run-up to the next row, but we will also present to wake decay of the wind farm wake downstream of the array.

  3. Visualisation and orbital-free parametrisation of the large-Z scaling of the kinetic energy density of atoms

    Science.gov (United States)

    Cancio, Antonio C.; Redd, Jeremy J.

    2017-03-01

    The scaling of neutral atoms to large Z, combining periodicity with a gradual trend to homogeneity, is a fundamental probe of density functional theory, one that has driven recent advances in understanding both the kinetic and exchange-correlation energies. Although research focus is normally upon the scaling of integrated energies, insights can also be gained from energy densities. We visualise the scaling of the positive-definite kinetic energy density (KED) in closed-shell atoms, in comparison to invariant quantities based upon the gradient and Laplacian of the density. We notice a striking fit of the KED within the core of any atom to a gradient expansion using both the gradient and the Laplacian, appearing as an asymptotic limit around which the KED oscillates. The gradient expansion is qualitatively different from that derived from first principles for a slowly varying electron gas and is correlated with a nonzero Pauli contribution to the KED near the nucleus. We propose and explore orbital-free meta-GGA models for the kinetic energy to describe these features, with some success, but the effects of quantum oscillations in the inner shells of atoms make a complete parametrisation difficult. We discuss implications for improved orbital-free description of molecular properties.

  4. Attenuation of 10 MeV electron beam energy to achieve low doses does not affect Salmonella spp. inactivation kinetics

    International Nuclear Information System (INIS)

    Hieke, Anne-Sophie Charlotte; Pillai, Suresh D.

    2015-01-01

    The effect of attenuating the energy of a 10 MeV electron beam on Salmonella inactivation kinetics was investigated. No statistically significant differences were observed between the D 10 values of either Salmonella 4,[5],12:i:- or a Salmonella cocktail (S. 4,[5],12:i:-, Salmonella Heidelberg, Salmonella Newport, Salmonella Typhimurium, Salmonella) when irradiated with either a non-attenuated 10 MeV eBeam or an attenuated 10 MeV eBeam (~2.9±0.22 MeV). The results show that attenuating the energy of a 10 MeV eBeam to achieve low doses does not affect the inactivation kinetics of Salmonella spp. when compared to direct 10 MeV eBeam irradiation. - Highlights: • 10 MeV eBeam energy was attenuated to 2.9±0.22 MeV using HDPE sheets. • Attenuation of eBeam energy does not affect the inactivation kinetics of Salmonella. • Microbial inactivation is independent of eBeam energy in the range of 3–10 MeV

  5. Translational kinetic energy induced oxidation on Ti(0001) surfaces using a supersonic O2 beam

    International Nuclear Information System (INIS)

    Ogawa, Shuichi; Takakuwa, Yuji; Ishidzuka, Shinji; Yoshigoe, Akitaka; Teraoka, Yuden; Moritani, Kousuke; Mizuno, Yoshiyuki

    2007-01-01

    The initial sticking probability S 0 of O 2 molecules on a Ti(0001)1x1 surface at room temperature was measured as a function of translational kinetic energy E t by real-time photoelectron spectroscopy. The O 1s photoelectron spectra can be fitted well with three components A, B and C, where the chemical shift of component B and C are +0.7 and +1.6 eV relative to the binding energy of component A (528.8 eV). Upon exposing to the O 2 beam, component A and C appear dominantly and component B grows with an incubation time, indicating that two kinds of chemical adsorption states are concerned with dissociative adsorption of O 2 molecules at the initial stage. The E t dependences of S 0 show quite different behaviors between component A and C: S 0 of component C decreases monotonously with E t and is almost constant above 0.6 eV, while S 0 of component A shows a rapid decrease followed by a gradual increase with a minimum at ∼0.5 eV and then decreases two small maxima at ∼0.9 and ∼1.8 eV. The observed E t dependences of S 0 for component A and C are discussed in terms of a trapping-mediated adsorption and an activated adsorption process and the chemical adsorption state corresponding to component A and C is also considered. (author)

  6. In situ photoemission spectroscopy using synchrotron radiation for O2 translational kinetic energy induced oxidation processes of partially-oxidized Si(001) surfaces

    International Nuclear Information System (INIS)

    Teraoka, Yuden; Yoshigoe, Akitaka

    2001-01-01

    The influence of translational kinetic energy of incident O 2 molecules for the passive oxidation process of partially-oxidized Si(001) surfaces has been studied by photoemission spectroscopy. The translational kinetic energy of O 2 molecules was controlled up to 3 eV by a supersonic seed beam technique using a high temperature nozzle. Two translational kinetic energy thresholds (1.0 eV and 2.6 eV) were found out in accordance with the first-principles calculation for the oxidation of clean surfaces. Si-2p photoemission spectra measured in representative translational kinetic energies revealed that the translational kinetic energy dependent oxidation of dimers and the second layer (subsurface) backbonds were caused by the direct dissociative chemisorption of O 2 molecules. Moreover, the difference in chemical bonds for oxygen atoms was found out to be as low and high binding energy components in O-1s photoemission spectra. Especially, the low binding energy component increased with increasing the translational kinetic energy that indicates the translational kinetic energy induced oxidation in backbonds. (author)

  7. Saving time and energy with oversubscription and semi-direct Møller-Plesset second order perturbation methods.

    Science.gov (United States)

    Fought, Ellie L; Sundriyal, Vaibhav; Sosonkina, Masha; Windus, Theresa L

    2017-04-30

    In this work, the effect of oversubscription is evaluated, via calling 2n, 3n, or 4n processes for n physical cores, on semi-direct MP2 energy and gradient calculations and RI-MP2 energy calculations with the cc-pVTZ basis using NWChem. Results indicate that on both Intel and AMD platforms, oversubscription reduces total time to solution on average for semi-direct MP2 energy calculations by 25-45% and reduces total energy consumed by the CPU and DRAM on average by 10-15% on the Intel platform. Semi-direct gradient time to solution is shortened on average by 8-15% and energy consumption is decreased by 5-10%. Linear regression analysis shows a strong correlation between time to solution and total energy consumed. Oversubscribing during RI-MP2 calculations results in performance degradations of 30-50% at the 4n level. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  8. Ventricular kinetic energy may provide a novel noninvasive way to assess ventricular performance in patients with repaired tetralogy of Fallot.

    Science.gov (United States)

    Jeong, Daniel; Anagnostopoulos, Petros V; Roldan-Alzate, Alejandro; Srinivasan, Shardha; Schiebler, Mark L; Wieben, Oliver; François, Christopher J

    2015-05-01

    Ventricular kinetic energy measurements may provide a novel imaging biomarker of declining ventricular efficiency in patients with repaired tetralogy of Fallot. Our purpose was to assess differences in ventricular kinetic energy with 4-dimensional flow magnetic resonance imaging between patients with repaired tetralogy of Fallot and healthy volunteers. Cardiac magnetic resonance, including 4-dimensional flow magnetic resonance imaging, was performed at rest in 10 subjects with repaired tetralogy of Fallot and 9 healthy volunteers using clinical 1.5T and 3T magnetic resonance imaging scanners. Right and left ventricular kinetic energy (KERV and KELV), main pulmonary artery flow (QMPA), and aortic flow (QAO) were quantified using 4-dimensional flow magnetic resonance imaging data. Right and left ventricular size and function were measured using standard cardiac magnetic resonance techniques. Differences in peak systolic KERV and KELV in addition to the QMPA/KERV and QAO/KELV ratios between groups were assessed. Kinetic energy indices were compared with conventional cardiac magnetic resonance parameters. Peak systolic KERV and KELV were higher in patients with repaired tetralogy of Fallot (6.06 ± 2.27 mJ and 3.55 ± 2.12 mJ, respectively) than in healthy volunteers (5.47 ± 2.52 mJ and 2.48 ± 0.75 mJ, respectively), but were not statistically significant (P = .65 and P = .47, respectively). The QMPA/KERV and QAO/KELV ratios were lower in patients with repaired tetralogy of Fallot (7.53 ± 5.37 mL/[cycle mJ] and 9.65 ± 6.61 mL/[cycle mJ], respectively) than in healthy volunteers (19.33 ± 18.52 mL/[cycle mJ] and 35.98 ± 7.66 mL/[cycle mJ], respectively; P tetralogy of Fallot. Quantification of ventricular kinetic energy in patients with repaired tetralogy of Fallot is a new observation. Future studies are needed to determine whether changes in ventricular kinetic energy can provide earlier evidence of ventricular dysfunction and guide future medical and

  9. Large eddy simulation study of the kinetic energy entrainment by energetic turbulent flow structures in large wind farms

    Science.gov (United States)

    VerHulst, Claire; Meneveau, Charles

    2014-02-01

    In this study, we address the question of how kinetic energy is entrained into large wind turbine arrays and, in particular, how large-scale flow structures contribute to such entrainment. Previous research has shown this entrainment to be an important limiting factor in the performance of very large arrays where the flow becomes fully developed and there is a balance between the forcing of the atmospheric boundary layer and the resistance of the wind turbines. Given the high Reynolds numbers and domain sizes on the order of kilometers, we rely on wall-modeled large eddy simulation (LES) to simulate turbulent flow within the wind farm. Three-dimensional proper orthogonal decomposition (POD) analysis is then used to identify the most energetic flow structures present in the LES data. We quantify the contribution of each POD mode to the kinetic energy entrainment and its dependence on the layout of the wind turbine array. The primary large-scale structures are found to be streamwise, counter-rotating vortices located above the height of the wind turbines. While the flow is periodic, the geometry is not invariant to all horizontal translations due to the presence of the wind turbines and thus POD modes need not be Fourier modes. Differences of the obtained modes with Fourier modes are documented. Some of the modes are responsible for a large fraction of the kinetic energy flux to the wind turbine region. Surprisingly, more flow structures (POD modes) are needed to capture at least 40% of the turbulent kinetic energy, for which the POD analysis is optimal, than are needed to capture at least 40% of the kinetic energy flux to the turbines. For comparison, we consider the cases of aligned and staggered wind turbine arrays in a neutral atmospheric boundary layer as well as a reference case without wind turbines. While the general characteristics of the flow structures are robust, the net kinetic energy entrainment to the turbines depends on the presence and relative

  10. Perturbing Tandem Energy Transfer in Luminescent Heterobinuclear Lanthanide Coordination Polymer Nanoparticles Enables Real-Time Monitoring of Release of the Anthrax Biomarker from Bacterial Spores.

    Science.gov (United States)

    Gao, Nan; Zhang, Yunfang; Huang, Pengcheng; Xiang, Zhehao; Wu, Fang-Ying; Mao, Lanqun

    2018-06-05

    Lanthanide-based luminescent sensors have been widely used for the detection of the anthrax biomarker dipicolinic acid (DPA). However, mainly based on DPA sensitization to the lanthanide core, most of them failed to realize robust detection of DPA in bacterial spores. We proposed a new strategy for reliable detection of DPA by perturbing a tandem energy transfer in heterobinuclear lanthanide coordination polymer nanoparticles simply constructed by two kinds of lanthanide ions, Tb 3+ and Eu 3+ , and guanosine 5'-monophosphate. This smart luminescent probe was demonstrated to exhibit highly sensitive and selective visual luminescence color change upon exposure to DPA, enabling accurate detection of DPA in complex biosystems such as bacterial spores. DPA release from bacterial spores on physiological germination was also successfully monitored in real time by confocal imaging. This probe is thus expected to be a powerful tool for efficient detection of bacterial spores in responding to anthrax threats.

  11. Correlated kinetic energy density functional of ground states of harmonically confined two-electron atoms for arbitrary interparticle interaction

    International Nuclear Information System (INIS)

    Amovilli, C; March, N H

    2012-01-01

    Utilizing the earlier work of Holas et al (2003 Phys. Lett. A 310 451) and the more recent contribution of Akbari et al (2009 Phys. Rev. A 80 032509), we construct an integral equation for the relative motion (RM) contribution t RM (r) to the correlated kinetic energy density for modelling two-electron atoms with harmonic confinement but arbitrary interparticle interaction. It is stressed that t RM = t RM [f(G)], where f(G) is the atomic scattering factor: the Fourier transform of the density ρ(r). As a simple illustrative example of this functional relation for the correlated kinetic energy density, the harmonic Moshinsky case is investigated, the scattering factor then having a Gaussian form. (paper)

  12. Analysis of atmospheric flow over a surface protrusion using the turbulence kinetic energy equation with reference to aeronautical operating systems

    Science.gov (United States)

    Frost, W.; Harper, W. L.

    1975-01-01

    Flow over surface obstructions can produce significantly large wind shears such that adverse flying conditions can occur for aeronautical systems (helicopters, STOL vehicles, etc.). Atmospheric flow fields resulting from a semi-elliptical surface obstruction in an otherwise horizontally homogeneous statistically stationary flow are modelled with the boundary-layer/Boussinesq-approximation of the governing equation of fluid mechanics. The turbulence kinetic energy equation is used to determine the dissipative effects of turbulent shear on the mean flow. Iso-lines of turbulence kinetic energy and turbulence intensity are plotted in the plane of the flow and highlight regions of high turbulence intensity in the stagnation zone and sharp gradients in intensity along the transition from adverse to favourable pressure gradient. Discussion of the effects of the disturbed wind field in CTOL and STOL aircraft flight path and obstruction clearance standards is given. The results indicate that closer inspection of these presently recommended standards as influenced by wind over irregular terrains is required.

  13. A quantitative analysis of aerosols inside an armored vehicle perforated by a kinetic energy penetrator containing tungsten, nickel, and cobalt.

    Science.gov (United States)

    Gold, Kenneth; Cheng, Yung Sung; Holmes, Thomas D

    2007-04-01

    These tests were conducted to develop a database that could be used to assess risks to soldiers from exposure to aerosolized metallic particulates when the crew compartment of an Abrams tank is perforated by a kinetic energy penetrator. Quantitative data are reported for aerosols produced by kinetic energy penetrators containing tungsten, nickel, and cobalt. The following are addressed: (1) concentrations and rates of particle settling inside the vehicle, (2) particle size distribution, (3) inhalable and respirable particulates, (4) distribution of aerosol particles by mass, and (5) particle shapes. The scenario described in this report simulates a rare occurrence. The lessons learned, however, highlight a requirement for developing protocols for analyses of metals in body fluids and urine as soon as practical, and also for implementing targeted postdeployment medical surveillance programs that monitor both body burden for respired metals and pulmonary function.

  14. Pyrolysis Characteristics and Kinetics of Phoenix Tree Residues as a Potential Energy

    Directory of Open Access Journals (Sweden)

    H. Li

    2015-09-01

    Full Text Available By using a thermogravimetric analyser under argon atmosphere, the pyrolysis process and the kinetic model of phoenix tree residues (the little stem, middle stem, and leaf at a 30 °C min−1 heating rate and the phoenix tree mix at three different heating rates (10 °C min−1, 30 °C min−1, and 50 °C min−1 were examined. The catalyst and the co-pyrolysis samples were at a 30 °C min−1 heating rate. The catalysts were Na2CO3, ZnCl2 and CaO in a mass fraction of 5 %. The experimental results revealed that the phoenix tree residues pyrolysis process consisted of three stages: dehydration stage, main pyrolysis stage, and the slow decomposition of residues. As the heating rate increased, the pyrolysis characteristic temperature of the phoenix tree grew, there was a backward-shift of the pyrolysis rate curve, and the mass loss rate gradually increased. The phoenix tree residues’ activation energy changed throughout the whole pyrolysis process, and the pyrolysis temperature ranges of the three main components (cellulose, hemicellulose, and lignin existed in overlapping phenomenon. As compared to the little stem, middle stem, and leaf, the phoenix tree mix was more likely to be pyrolysed under the same heating rate. Different catalysts had a different impact on the pyrolysis: ZnCl2 moved the start point of the reaction to the lower temperatures, but did not speed up the reaction; Na2CO3 speeded up the reaction without changing the start point of the reaction; CaO speeded up the reaction, moved the start point of the reaction to higher temperatures.

  15. Modified Fourth-Order Kinetic Energy Gradient Expansion with Hartree Potential-Dependent Coefficients.

    Science.gov (United States)

    Constantin, Lucian A; Fabiano, Eduardo; Della Sala, Fabio

    2017-09-12

    Using the semiclassical neutral atom theory, we developed a modified fourth-order kinetic energy (KE) gradient expansion (GE4m) that keeps unchanged all the linear-response terms of the uniform electron gas and gives a significant improvement with respect to the known semilocal functionals for both large atoms and jellium surfaces. On the other hand, GE4m is not accurate for light atoms; thus, we modified the GE4m coefficients making them dependent on a novel ingredient, the reduced Hartree potential, recently introduced in the Journal of Chemical Physics 2016, 145, 084110, in the context of exchange functionals. The resulting KE gradient expansion functional, named uGE4m, belongs to the novel class of u-meta-generalized-gradient-approximations (uMGGA) whose members depend on the conventional ingredients (i.e., the reduced gradient and Laplacian of the density) as well as on the reduced Hartree potential. To test uGE4m, we defined an appropriate benchmark (including total KE and KE differences for atoms, molecules and jellium clusters) for gradient expansion functionals, that is, including only those systems which are mainly described by a slowly varying density regime. While most of the GGA and meta-GGA KE functionals (we tested 18 of them) are accurate for some properties and inaccurate for others, uGE4m shows a consistently good performance for all the properties considered. This represents a qualitative boost in the KE functional development and highlights the importance of the reduced Hartree potential for the construction of next-generation KE functionals.

  16. SNG from coal: thermodynamic and kinetic constraints; use of nuclear energy

    International Nuclear Information System (INIS)

    Shapira, D.

    1983-01-01

    Part I contains an analysis of the thermodynamic constraints of converting coal to SNG. It is shown that the thermodynamic constraints that limit the thermal efficiency are not inherent, but are the result of design decisions, based on available technology, as well as on the kinetic properties of available catalysts. The latter, limits the yield of methane to that obtainable at global equilibrium over carbon in the presence of CO, H 2 , CO 2 and H 2 O. The equilibrium composition is shown to be independent of the thermodynamic properties of the char or coal fed. These limitations give the nonisothermal two-stage processes significant thermodynamic advantages. The analysis in part I results in suggesting directions for modifying present processes in order to obtain higher thermal efficiences. It also presents two-stage process schemes which may have significant advantages over present technology. As the methodology used for the thermodynamic analysis contains some novel elements, it should be of interest to the reaction engineer in general, and should be applicable to a wide range of catalytic and noncatalytic processes. Part II focuses on the use of nuclear energy in the production of synthetic fuel. Two processes for the production of hydrogen (which is used in coal-to-SNG processes) are analyzed and compared. The two processes are: 1) hydrogen from electrolysis of water using nuclear heat. 2) Hydrogen from steam reforming of methane using nuclear heat. The method used is differential economic analysis which focuses on evaluating the inherent advantages and disadvantages of the proposed technologies. Part II shows that the use of high temperature heat in production of hydrogen from coal is less attractive than the use of the same heat to generate electricity and split water into H 2 and O 2

  17. A spectral chart method for estimating the mean turbulent kinetic energy dissipation rate

    Energy Technology Data Exchange (ETDEWEB)

    Djenidi, L.; Antonia, R.A. [The University of Newcastle, School of Engineering, Newcastle, NSW (Australia)

    2012-10-15

    We present an empirical but simple and practical spectral chart method for determining the mean turbulent kinetic energy dissipation rate left angle {epsilon}right angle in a variety of turbulent flows. The method relies on the validity of the first similarity hypothesis of Kolmogorov (C R (Doklady) Acad Sci R R SS, NS 30:301-305, 1941) (or K41) which implies that spectra of velocity fluctuations scale on the kinematic viscosity {nu} and left angle {epsilon}right angle at large Reynolds numbers. However, the evidence, based on the DNS spectra, points to this scaling being also valid at small Reynolds numbers, provided effects due to inhomogeneities in the flow are negligible. The methods avoid the difficulty associated with estimating time or spatial derivatives of the velocity fluctuations. It also avoids using the second hypothesis of K41, which implies the existence of a -5/3 inertial subrange only when the Taylor microscale Reynolds number R{sub {lambda}} is sufficiently large. The method is in fact applied to the lower wavenumber end of the dissipative range thus avoiding most of the problems due to inadequate spatial resolution of the velocity sensors and noise associated with the higher wavenumber end of this range.The use of spectral data (30 {<=} R{sub {lambda}}{<=} 400) in both passive and active grid turbulence, a turbulent mixing layer and the turbulent wake of a circular cylinder indicates that the method is robust and should lead to reliable estimates of left angle {epsilon}right angle in flows or flow regions where the first similarity hypothesis should hold; this would exclude, for example, the region near a wall. (orig.)

  18. Observed near-inertial kinetic energy in the northwestern South China Sea

    Science.gov (United States)

    Chen, Gengxin; Xue, Huijie; Wang, Dongxiao; Xie, Qiang

    2013-10-01

    Based on more than 3 years of moored current-meter records, this study examined seasonal variability of near-inertial kinetic energy (NIKE) as well as all large (greater than one standard deviation from the mean) NIKE events related to storms and eddies in the northwestern South China Sea. The NIKE in the subsurface layer (30-450 m) exhibited obvious seasonal variability with larger values in autumn (herein defined as August, September, and October). All large NIKE events during the observation period were generated by passing storms. Most of the NIKE events had an e-folding timescale longer than 7 d. The phase velocity, vertical wavelength, and frequency shift of these events were examined. The maximum NIKE, induced by typhoon "Neoguri," was observed in April 2008. Normal mode analysis suggested that the combined effects of the first four modes determined the vertical distribution of NIKE with higher NIKE below 70 m but lower NIKE from 30 to 70 m. Another near-inertial oscillation event observed in August 2007 had the longest e-folding timescale of 13.5 d. Moreover, the NIKE propagated both upward and downward during this event. A ray-tracing model indicated that the smaller Brunt-Väisälä frequency and the stronger vertical shear of horizontal currents in an anticyclonic eddy and the near-inertial wave with larger horizontal scale facilitated the unusual propagation of the NIKE and the long decay timescale. Although the NIKE originated from wind, the water column structure affected by diverse oceanographic processes contributed substantially to its complex propagation and distribution.

  19. Kinetic energies of charged fragments resulting from multifragmentation and asymmetric fission of the C60 molecule in collisions with monocharged ions (2-130 keV)

    International Nuclear Information System (INIS)

    Rentenier, A; Bordenave-Montesquieu, D; Moretto-Capelle, P; Bordenave-Montesquieu, A

    2003-01-01

    Multifragmentation and asymmetric fission (AF) of the C 60 molecule induced by H + , H 2 + , H 3 + and He + ions at medium collision energies (2-130 keV) are considered. Momenta and kinetic energies of C n + fragment ions (n = 1- 12) are deduced from an analysis of time-of-flight spectra. In multifragmentation processes, momenta are found to be approximately constant when n > 2, a behaviour which explains that the most probable kinetic energy, as well as the width of the kinetic energy distributions, is found to be inversely proportional to the fragment size n; both momenta and kinetic energies are independent of the velocity and nature of the projectile, and hence of the energy deposit. A specific study of the AF shows that the kinetic energies of C 2 + , C 4 + and C 6 + fragments are also independent of the collision velocity and projectile species; a quantitative agreement is found with values deduced from kinetic energy release measurements by another group in electron impact experiments, and the observed decrease when the mass of the light fragment increases is also reproduced. A quantitative comparison of AF and multifragmentation for the n = 2, 4 and 6 fragment ions shows that kinetic energies in AF exceed that in multifragmentation, a result which explains the oscillations observed when momenta or kinetic energies of fragments are plotted against the n-value. The AF yield is also found to scale with the energy deposit in the collision velocity range extending below the velocity at the maximum of the electronic stopping power; except for protons, it remains negligible with respect to multifragmentation as soon as the total energy deposit exceeds about 100 eV

  20. Nonperturbative perturbation theory

    International Nuclear Information System (INIS)

    Bender, C.M.

    1989-01-01

    In this talk we describe a recently proposed graphical perturbative calculational scheme for quantum field theory. The basic idea is to expand in the power of the interaction term. For example, to solve a λφ 4 theory in d-dimensional space-time, we introduce a small parameter δ and consider a λ(φ 2 ) 1+δ field theory. We show how to expand such a theory as a series in powers of δ. The resulting perturbation series appears to have a finite radius of convergence and numerical results for low-dimensional models are good. We have computed the two-point and four-point Green's functions to second order in powers of δ and the 2n-point Green's functions (n>2) to order δ. We explain how to renormalize the theory and show that, to first order in powers of δ, when δ>0 and d≥4 the theory is free. This conclusion remains valid to second order in powers of δ, and we believe that it remains valid to all orders in powers of δ. The new perturbative scheme is consistent with global supersymmetry invariance. We examine a two-dimensional supersymmetric quantum field theory in which we do not know of any other means for doing analytical calculations. We illustrate the power of this new technique by computing the ground-state energy density E to second order in this new perturbation theory. We show that there is a beautiful and delicate cancellation between infinite classes of graphs which leads to the result that E=0. (orig.)

  1. Full-dimensional analytical potential energy surface describing the gas-phase Cl + C2H6 reaction and kinetics study of rate constants and kinetic isotope effects.

    Science.gov (United States)

    Rangel, Cipriano; Espinosa-Garcia, Joaquin

    2018-02-07

    Within the Born-Oppenheimer approximation a full-dimensional analytical potential energy surface, PES-2017, was developed for the gas-phase hydrogen abstraction reaction between the chlorine atom and ethane, which is a nine body system. This surface presents a valence-bond/molecular mechanics functional form dependent on 60 parameters and is fitted to high-level ab initio calculations. This reaction presents little exothermicity, -2.30 kcal mol -1 , with a low height barrier, 2.44 kcal mol -1 , and intermediate complexes in the entrance and exit channels. We found that the energetic description was strongly dependent on the ab initio level used and it presented a very flat topology in the entrance channel, which represents a theoretical challenge in the fitting process. In general, PES-2017 reproduces the ab initio information used as input, which is merely a test of self-consistency. As a first test of the quality of the PES-2017, a theoretical kinetics study was performed in the temperature range 200-1400 K using two approaches, i.e. the variational transition-state theory and quasi-classical trajectory calculations, with spin-orbit effects. The rate constants show reasonable agreement with experiments in the whole temperature range, with the largest differences at the lowest temperatures, and this behaviour agrees with previous theoretical studies, thus indicating the inherent difficulties in the theoretical simulation of the kinetics of the title reaction. Different sources of error were analysed, such as the limitations of the PES and theoretical methods, recrossing effects, and the tunnelling effect, which is negligible in this reaction, and the manner in which the spin-orbit effects were included in this non-relativistic study. We found that the variation of spin-orbit coupling along the reaction path, and the influence of the reactivity of the excited Cl( 2 P 1/2 ) state, have relative importance, but do not explain the whole discrepancy. Finally, the

  2. Comment on the prediction of two-loop standard chiral perturbation theory for low-energy ππ scattering

    International Nuclear Information System (INIS)

    Girlanda, L.; Moussallam, B.; Stern, J.; Knecht, M.

    1997-03-01

    Four of the six parameters defining the two-loop ππ scattering amplitude have been determined using Roy dispersion relations. Combining this information with the Standard χ PT expressions, the threshold parameters, low-energy phases and the O(p 4 ) constants l 1 r , l 2 r are obtained. The result reproduces the correct D-waves but it is incompatible with existing Standard χ PT analyses of K 14 form factors beyond one loop. (author)

  3. Perturbative quantum chromodynamics

    CERN Document Server

    1989-01-01

    This book will be of great interest to advanced students and researchers in the area of high energy theoretical physics. Being the most complete and updated review volume on Perturbative QCD, it serves as an extremely useful textbook or reference book. Some of the reviews in this volume are the best that have been written on the subject anywhere. Contents: Factorization of Hard Processes in QCD (J C Collins, D E Soper & G Sterman); Exclusive Processes in Quantum Chromodynamics (S J Brodsky & G P Lepage); Coherence and Physics of QCD Jets (Yu L Dokshitzer, V A Khoze & S I Troyan); Pomeron in Qu

  4. Three-hadron angular correlations in high-energy proton-proton and nucleus-nucleus collisions from perturbative QCD

    International Nuclear Information System (INIS)

    Ayala, Alejandro; Ortiz, Antonio; Paic, Guy; Jalilian-Marian, Jamal; Magnin, J.; Tejeda-Yeomans, Maria Elena

    2011-01-01

    We study three-hadron azimuthal angular correlations in high-energy proton-proton and central nucleus-nucleus collisions at the BNL Relativistic Heavy Ion Collider (RHIC) and the CERN Large Hadron Collider at midrapidity. We use the leading-order parton matrix elements for 2→3 processes and include the effect of parton energy loss in the quark-gluon plasma using the modified fragmentation function approach. For the case when the produced hadrons have either the same or not too different momenta, we observe two away-side peaks at 2π/3 and 4π/3. We consider the dependence of the angular correlations on energy loss parameters that have been used in studies of single inclusive hadron production at RHIC. Our results on the angular dependence of the cross section agree well with preliminary data by the PHENIX Collaboration. We comment on the possible contribution of 2→3 processes to dihadron angular correlations and how a comparison of the two processes may help characterize the plasma further.

  5. Experimental study of the efficiency of transformation of the dense plasma hypersonic flow kinetic energy into a radiation

    International Nuclear Information System (INIS)

    Kamrukov, A.S.; Kozlov, N.P.; Myshelov, E.P.; Protasov, Yu.S.

    1981-01-01

    Analysis of physical specific features of radiator where plasma heating is performed with tbermalization of directed kinetic energy of dense plasma flows accelerated electrodynamically up to hypersonic velocities during its shock deceleration, is given. It is shown that the plasma heating method considered has a number of principle advantages as compared with methods most disseminated now for generation of dense intensively radiating plasma (current heating exploding method) and suggests new possibilities for construction of selective high brightness radiat.ion sources of ultraviolet and far vacuum ultraviolet ranges of spectrum. Radiation gas dynamic processes of hypersonic plasma flow deceleration formed with magnetoplasma compressors have been experimentally investigated on their interaction with condenced matters in vacuum and basic thermodynamic parameters of shock compressed plasma have been determined. It is shown that the conversion process of kinetic energy of high-velocity plasma flows to radiation is accomplished at very high efficiency-integral luminescence of shock compressed plasma can reach approximately 90% of initial kinetic energy of flow [ru

  6. Direct Measurements of Quantum Kinetic Energy Tensor in Stable and Metastable Water near the Triple Point: An Experimental Benchmark.

    Science.gov (United States)

    Andreani, Carla; Romanelli, Giovanni; Senesi, Roberto

    2016-06-16

    This study presents the first direct and quantitative measurement of the nuclear momentum distribution anisotropy and the quantum kinetic energy tensor in stable and metastable (supercooled) water near its triple point, using deep inelastic neutron scattering (DINS). From the experimental spectra, accurate line shapes of the hydrogen momentum distributions are derived using an anisotropic Gaussian and a model-independent framework. The experimental results, benchmarked with those obtained for the solid phase, provide the state of the art directional values of the hydrogen mean kinetic energy in metastable water. The determinations of the direction kinetic energies in the supercooled phase, provide accurate and quantitative measurements of these dynamical observables in metastable and stable phases, that is, key insight in the physical mechanisms of the hydrogen quantum state in both disordered and polycrystalline systems. The remarkable findings of this study establish novel insight into further expand the capacity and accuracy of DINS investigations of the nuclear quantum effects in water and represent reference experimental values for theoretical investigations.

  7. Exploration of near the origin and the asymptotic behaviors of the Kohn-Sham kinetic energy density for two-dimensional quantum dot systems with parabolic confinement

    Science.gov (United States)

    Jana, Subrata; Samal, Prasanjit

    2018-01-01

    The behaviors of the positive definite Kohn-Sham kinetic energy density near the origin and at the asymptotic region play a major role in designing meta-generalized gradient approximations (meta-GGAs) for exchange in low-dimensional quantum systems. It is shown that near the origin of the parabolic quantum dot, the Kohn-Sham kinetic energy differs from its von Weizsäcker counterpart due to the p orbital contributions, whereas in the asymptotic region, the difference between the above two kinetic energy densities goes as ˜ρ/(r ) r2 . All these behaviors have been explored using the two-dimensional isotropic quantum harmonic oscillator as a test case. Several meta-GGA ingredients are then studied by making use of the above findings. Also, the asymptotic conditions for the exchange energy density and the potential at the meta-GGA level are proposed using the corresponding behaviors of the two kinetic energy densities.

  8. Investigation of the heavy nuclei fission with anomalously high values of the fission fragments total kinetic energy

    Science.gov (United States)

    Khryachkov, Vitaly; Goverdovskii, Andrei; Ketlerov, Vladimir; Mitrofanov, Vecheslav; Sergachev, Alexei

    2018-03-01

    Binary fission of 232Th and 238U induced by fast neutrons were under intent investigation in the IPPE during recent years. These measurements were performed with a twin ionization chamber with Frisch grids. Signals from the detector were digitized for further processing with a specially developed software. It results in information of kinetic energies, masses, directions and Bragg curves of registered fission fragments. Total statistics of a few million fission events were collected during each experiment. It was discovered that for several combinations of fission fragment masses their total kinetic energy was very close to total free energy of the fissioning system. The probability of such fission events for the fast neutron induced fission was found to be much higher than for spontaneous fission of 252Cf and thermal neutron induced fission of 235U. For experiments with 238U target the energy of incident neutrons were 5 MeV and 6.5 MeV. Close analysis of dependence of fission fragment distribution on compound nucleus excitation energy gave us some explanation of the phenomenon. It could be a process in highly excited compound nucleus which leads the fissioning system from the scission point into the fusion valley with high probability.

  9. Heat and turbulent kinetic energy budgets for surface layer cooling induced by the passage of Hurricane Frances (2004)

    Science.gov (United States)

    Huang, Peisheng; Sanford, Thomas B.; Imberger, JöRg

    2009-12-01

    Heat and turbulent kinetic energy budgets of the ocean surface layer during the passage of Hurricane Frances were examined using a three-dimensional hydrodynamic model. In situ data obtained with the Electromagnetic-Autonomous Profiling Explorer (EM-APEX) floats were used to set up the initial conditions of the model simulation and to compare to the simulation results. The spatial heat budgets reveal that during the hurricane passage, not only the entrainment in the bottom of surface mixed layer but also the horizontal water advection were important factors determining the spatial pattern of sea surface temperature. At the free surface, the hurricane-brought precipitation contributed a negligible amount to the air-sea heat exchange, but the precipitation produced a negative buoyancy flux in the surface layer that overwhelmed the instability induced by the heat loss to the atmosphere. Integrated over the domain within 400 km of the hurricane eye on day 245.71 of 2004, the rate of heat anomaly in the surface water was estimated to be about 0.45 PW (1 PW = 1015 W), with about 20% (0.09 PW in total) of this was due to the heat exchange at the air-sea interface, and almost all the remainder (0.36 PW) was downward transported by oceanic vertical mixing. Shear production was the major source of turbulent kinetic energy amounting 88.5% of the source of turbulent kinetic energy, while the rest (11.5%) was attributed to the wind stirring at sea surface. The increase of ocean potential energy due to vertical mixing represented 7.3% of the energy deposited by wind stress.

  10. Base case and perturbation scenarios

    Energy Technology Data Exchange (ETDEWEB)

    Edmunds, T

    1998-10-01

    This report describes fourteen energy factors that could affect electricity markets in the future (demand, process, source mix, etc.). These fourteen factors are believed to have the most influence on the State's energy environment. A base case, or most probable, characterization is given for each of these fourteen factors over a twenty year time horizon. The base case characterization is derived from quantitative and qualitative information provided by State of California government agencies, where possible. Federal government databases are nsed where needed to supplement the California data. It is envisioned that a initial selection of issue areas will be based upon an evaluation of them under base case conditions. For most of the fourteen factors, the report identities possible perturbations from base case values or assumptions that may be used to construct additional scenarios. Only those perturbations that are plausible and would have a significant effect on energy markets are included in the table. The fourteen factors and potential perturbations of the factors are listed in Table 1.1. These perturbations can be combined to generate internally consist.ent. combinations of perturbations relative to the base case. For example, a low natural gas price perturbation should be combined with a high natural gas demand perturbation. The factor perturbations are based upon alternative quantitative forecasts provided by other institutions (the Department of Energy - Energy Information Administration in some cases), changes in assumptions that drive the quantitative forecasts, or changes in assumptions about the structure of the California energy markets. The perturbations are intended to be used for a qualitative reexamination of issue areas after an initial evaluation under the base case. The perturbation information would be used as a "tiebreaker;" to make decisions regarding those issue areas that were marginally accepted or rejected under the base case. Hf a

  11. On the use of kinetic energy preserving DG-schemes for large eddy simulation

    Science.gov (United States)

    Flad, David; Gassner, Gregor

    2017-12-01

    -grid-scale models on top doesn't change much or in worst case decreases the fidelity even more. Finally, the core of this work is a novel LES strategy based on split form DG methods that are kinetic energy preserving. The scheme offers excellent stability with full control over the amount and shape of the added artificial dissipation. This premise is the main idea of the work and we will assess the LES capabilities of the novel split form DG approach when applied to shock-free, moderate Mach number turbulence. We will demonstrate that the novel DG LES strategy offers similar accuracy as the iLES methodology for well resolved cases, but strongly increases fidelity in case of more realistic coarse resolutions.

  12. Kinetic Energy Losses and Efficiency of an Axial Turbine Stage in Numerical Modeling of Unsteady Flows

    Directory of Open Access Journals (Sweden)

    A. S. Laskin

    2015-01-01

    Full Text Available The article presents the results of numerical investigation of kinetic energy (KE loss and blading efficiency of the single-stage axial turbine under different operating conditions, characterized by the ratio u/C0. The calculations are performed by stationary (Stage method and nonstationary (Transient method methods using ANSYS CFX. The novelty of this work lies in the fact that the numerical simulation of steady and unsteady flows in a turbine stage is conducted, and the results are obtained to determine the loss of KE, both separately by the elements of the flow range and their total values, in the stage efficiency as well. The results obtained are compared with the calculated efficiency according to one-dimensional theory.To solve these problems was selected model of axial turbine stage with D/l = 13, blade profiles of rotor and stator of constant cross-section, similar to tested ones in inverted turbine when = 0.3. The degree of reactivity ρ = 0.27, the rotor speed was varied within the range 1000 ÷ 1800 rev/min.Results obtained allow us to draw the following conclusions:1. The level of averaged coefficients of total KE losses in the range of from 0.48 to 0.75 is from 18% to 21% when calculating by the Stage method and from 21% to 25% by the Transient one.2. The level of averaged coefficients of KE losses with the output speed of in the specified range is from 9% to 13%, and almost the same when in calculating by Stage and Transient methods.3. Levels of averaged coefficients of KE loss in blade tips (relative to the differential enthalpies per stage are changed in the range: from 4% to 3% (Stage and are stored to be equal to 5% (Transient; from 5% to 6% (Stage and from 6% to 8% (Transient.4. Coefficients of KE losses in blade tips GV and RB are higher in calculations of the model stage using the Transient method than the Stage one, respectively, by = 1.5 ÷ 2.5% and = 4 ÷ 5% of the absolute values. These are values to characterize the KE

  13. Mineral solubility and free energy controls on microbial reaction kinetics: Application to contaminant transport in the subsurface

    Energy Technology Data Exchange (ETDEWEB)

    Taillefert, Martial [Georgia Inst. of Technology, Atlanta, GA (United States); Van Cappellen, Philippe [Univ. of Waterloo, ON (Canada)

    2016-11-14

    Recent developments in the theoretical treatment of geomicrobial reaction processes have resulted in the formulation of kinetic models that directly link the rates of microbial respiration and growth to the corresponding thermodynamic driving forces. The overall objective of this project was to verify and calibrate these kinetic models for the microbial reduction of uranium(VI) in geochemical conditions that mimic as much as possible field conditions. The approach combined modeling of bacterial processes using new bioenergetic rate laws, laboratory experiments to determine the bioavailability of uranium during uranium bioreduction, evaluation of microbial growth yield under energy-limited conditions using bioreactor experiments, competition experiments between metabolic processes in environmentally relevant conditions, and model applications at the field scale. The new kinetic descriptions of microbial U(VI) and Fe(III) reduction should replace those currently used in reactive transport models that couple catabolic energy generation and growth of microbial populations to the rates of biogeochemical redox processes. The above work was carried out in collaboration between the groups of Taillefert (batch reactor experiments and reaction modeling) at Georgia Tech and Van Cappellen (retentostat experiments and reactive transport modeling) at University of Waterloo (Canada).

  14. Deviation from an inverse cosine dependence of kinetic secondary electron emission for angle of incidence at keV energy

    International Nuclear Information System (INIS)

    Ohya, Kaoru; Kawata, Jun; Mori, Ichiro

    1989-01-01

    Incident angle dependence of kinetic secondary electron emission from metals resulting from incidence of keV ions is investigated by computer simulation with the TRIM Monte Carlo program of ion scattering in matter. The results show large deviations from the inverse cosine dependence, which derives from high-energy approximation, because of a series of elastic collisions of incident ions with metal atoms. In the keV energy region, the elastic collisions have two different effects on the angular dependence for relatively high-energy light ions and for low-energy heavy ions: they result in over- and under-inverse-cosine dependences, respectively. The properties are observed even with an experiment of the keV-neutral incidence on a contaminated surface. In addition, the effects of the thin oxide layer and roughness on the surface are examined with simplified models. (author)

  15. Kinetic parameters, collision rates, energy exchanges and transport coefficients of non-thermal electrons in premixed flames at sub-breakdown electric field strengths

    KAUST Repository

    Bisetti, Fabrizio; El Morsli, Mbark

    2014-01-01

    The effects of an electric field on the collision rates, energy exchanges and transport properties of electrons in premixed flames are investigated via solutions to the Boltzmann kinetic equation. The case of high electric field strength, which

  16. Torsional energy levels of CH3OH+/CH3OD+/CD3OD+ studied by zero-kinetic energy photoelectron spectroscopy and theoretical calculations

    International Nuclear Information System (INIS)

    Dai, Zuyang; Gao, Shuming; Wang, Jia; Mo, Yuxiang

    2014-01-01

    The torsional energy levels of CH 3 OH + , CH 3 OD + , and CD 3 OD + have been determined for the first time using one-photon zero kinetic energy photoelectron spectroscopy. The adiabatic ionization energies for CH 3 OH, CH 3 OD, and CD 3 OD are determined as 10.8396, 10.8455, and 10.8732 eV with uncertainties of 0.0005 eV, respectively. Theoretical calculations have also been performed to obtain the torsional energy levels for the three isotopologues using a one-dimensional model with approximate zero-point energy corrections of the torsional potential energy curves. The calculated values are in good agreement with the experimental data. The barrier height of the torsional potential energy without zero-point energy correction was calculated as 157 cm −1 , which is about half of that of the neutral (340 cm −1 ). The calculations showed that the cation has eclipsed conformation at the energy minimum and staggered one at the saddle point, which is the opposite of what is observed in the neutral molecule. The fundamental C–O stretch vibrational energy level for CD 3 OD + has also been determined. The energy levels for the combinational excitation of the torsional vibration and the fundamental C–O stretch vibration indicate a strong torsion-vibration coupling

  17. Torsional energy levels of CH₃OH⁺/CH₃OD⁺/CD₃OD⁺ studied by zero-kinetic energy photoelectron spectroscopy and theoretical calculations.

    Science.gov (United States)

    Dai, Zuyang; Gao, Shuming; Wang, Jia; Mo, Yuxiang

    2014-10-14

    The torsional energy levels of CH3OH(+), CH3OD(+), and CD3OD(+) have been determined for the first time using one-photon zero kinetic energy photoelectron spectroscopy. The adiabatic ionization energies for CH3OH, CH3OD, and CD3OD are determined as 10.8396, 10.8455, and 10.8732 eV with uncertainties of 0.0005 eV, respectively. Theoretical calculations have also been performed to obtain the torsional energy levels for the three isotopologues using a one-dimensional model with approximate zero-point energy corrections of the torsional potential energy curves. The calculated values are in good agreement with the experimental data. The barrier height of the torsional potential energy without zero-point energy correction was calculated as 157 cm(-1), which is about half of that of the neutral (340 cm(-1)). The calculations showed that the cation has eclipsed conformation at the energy minimum and staggered one at the saddle point, which is the opposite of what is observed in the neutral molecule. The fundamental C-O stretch vibrational energy level for CD3OD(+) has also been determined. The energy levels for the combinational excitation of the torsional vibration and the fundamental C-O stretch vibration indicate a strong torsion-vibration coupling.

  18. Core-Shell Al-Polytetrafluoroethylene (PTFE) Configurations to Enhance Reaction Kinetics and Energy Performance for Nanoenergetic Materials.

    Science.gov (United States)

    Wang, Jun; Qiao, Zhiqiang; Yang, Yuntao; Shen, Jinpeng; Long, Zhang; Li, Zhaoqian; Cui, Xudong; Yang, Guangcheng

    2016-01-04

    The energy performance of solid energetic materials (Al, Mg, etc.) is typically restricted by a natural passivation layer and the diffusion-limited kinetics between the oxidizer and the metal. In this work, we use polytetrafluoroethylene (PTFE) as the fluorine carrier and the shielding layer to construct a new type of nano-Al based fuels. The PTFE shell not only prevents nano-Al layers from oxidation, but also assists in enhancing the reaction kinetics, greatly improving the stability and reactivity of fuels. An in situ chemical vapor deposition combined with the electrical explosion of wires (EEW) method is used to fabricate core-shell nanostructures. Studies show that by controlling the stoichiometric ratio of the precursors, the morphology of the PTFE shell and the energy performance can be easily tuned. The resultant composites exhibit superior energy output characters than that of their physically mixed Al/PTFE counterparts. This synthetic strategy might provide a general approach to prepare other high-energy fuels (Mg, Si). © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Mass and kinetic-energy distributions of fragments formed in the heavy-ion-induced fission of 208Po

    International Nuclear Information System (INIS)

    Cuninghame, J.G.; Goodall, J.A.B.

    1980-01-01

    Fission fragments following the decay of a 208 Po compound nucleus have been observed by using radiochemical and particle-counting techniques. The (α+ 204 Pb), ( 12 C+ 196 Pt) and ( 16 O+ 192 Os) reactions were studied at two or three bombarding energies, covering overlapping ranges of excitation energies. - Radiochemical separations of As, Br, Y, Nb, Tc, Ag, Sb and I isotopes were made from catcher foils sandwiching isotopic targets, and their isotopic yield distributions determined. The distributions are used to estimate the average number of neutrons associated with each fission event, including neutrons emitted before and after fission. - Prompt coincidence measurements of fragments are used to derive the overall mass and kinetic-energy distributions of primary fragments, taking into account the effects of pre- and post-fission neutron emission. The mass distributions are well fitted by the statistical theory, at a temperature corresponding to an excitation about 10 MeV above that at the saddle point. No evidence is found for an increase of kinetic-energy with increasing angular momentum of the compound nucleus. (author)

  20. Sensitivity of the two-dimensional shearless mixing layer to the initial turbulent kinetic energy and integral length scale

    Science.gov (United States)

    Fathali, M.; Deshiri, M. Khoshnami

    2016-04-01

    The shearless mixing layer is generated from the interaction of two homogeneous isotropic turbulence (HIT) fields with different integral scales ℓ1 and ℓ2 and different turbulent kinetic energies E1 and E2. In this study, the sensitivity of temporal evolutions of two-dimensional, incompressible shearless mixing layers to the parametric variations of ℓ1/ℓ2 and E1/E2 is investigated. The sensitivity methodology is based on the nonintrusive approach; using direct numerical simulation and generalized polynomial chaos expansion. The analysis is carried out at Reℓ 1=90 for the high-energy HIT region and different integral length scale ratios 1 /4 ≤ℓ1/ℓ2≤4 and turbulent kinetic energy ratios 1 ≤E1/E2≤30 . It is found that the most influential parameter on the variability of the mixing layer evolution is the turbulent kinetic energy while variations of the integral length scale show a negligible influence on the flow field variability. A significant level of anisotropy and intermittency is observed in both large and small scales. In particular, it is found that large scales have higher levels of intermittency and sensitivity to the variations of ℓ1/ℓ2 and E1/E2 compared to the small scales. Reconstructed response surfaces of the flow field intermittency and the turbulent penetration depth show monotonic dependence on ℓ1/ℓ2 and E1/E2 . The mixing layer growth rate and the mixing efficiency both show sensitive dependence on the initial condition parameters. However, the probability density function of these quantities shows relatively small solution variations in response to the variations of the initial condition parameters.

  1. Separation-induced boundary layer transition: Modeling with a non-linear eddy-viscosity model coupled with the laminar kinetic energy equation

    International Nuclear Information System (INIS)

    Vlahostergios, Z.; Yakinthos, K.; Goulas, A.

    2009-01-01

    We present an effort to model the separation-induced transition on a flat plate with a semi-circular leading edge, using a cubic non-linear eddy-viscosity model combined with the laminar kinetic energy. A non-linear model, compared to a linear one, has the advantage to resolve the anisotropic behavior of the Reynolds-stresses in the near-wall region and it provides a more accurate expression for the generation of turbulence in the transport equation of the turbulence kinetic energy. Although in its original formulation the model is not able to accurately predict the separation-induced transition, the inclusion of the laminar kinetic energy increases its accuracy. The adoption of the laminar kinetic energy by the non-linear model is presented in detail, together with some additional modifications required for the adaption of the laminar kinetic energy into the basic concepts of the non-linear eddy-viscosity model. The computational results using the proposed combined model are shown together with the ones obtained using an isotropic linear eddy-viscosity model, which adopts also the laminar kinetic energy concept and in comparison with the existing experimental data.

  2. Reaction dynamics of the four-centered elimination CH2OH + --> CHO + +H2: Measurement of kinetic energy release distribution and classical trajectory calculation

    Science.gov (United States)

    Lee, Tae Geol; Park, Seung C.; Kim, Myung Soo

    1996-03-01

    Mass-analyzed ion kinetic energy (MIKE) spectrum of CHO+ generated in the unimolecular dissociation of CH2OH+ was measured. Kinetic energy release distribution (KERD) was evaluated by analyzing the spectrum according to the algorithm developed previously. The average kinetic energy release evaluated from the distribution was extraordinarily large, 1.63 eV, corresponding to 75% of the reverse barrier of the reaction. A global analytical potential energy surface was constructed such that the experimental energetics was represented and that various features in the ab initio potential energy surface were closely reproduced. Classical trajectory calculation was carried out with the global analytical potential energy surface to investigate the causes for the extraordinarily large kinetic energy release. Based on the detailed dynamical calculations, it was found that the strained bending forces at the transition state and strengthening of the CO bond from double to triple bond character were mainly responsible for such a significant kinetic energy release. In addition, the dissociation products H2 and CHO+ ion were found to be rotationally excited in the trajectory calculations. This was attributed to the asymmetry of the transition state and the release of asymmetric bending forces. Also, the bending vibrational modes of CHO+ and the H2 stretching mode, which are coupled with the bending coordinates, were found to be moderately excited.

  3. Kinetic energy and angular momentum of free particles in the gyratonic pp-waves space-times

    Science.gov (United States)

    Maluf, J. W.; da Rocha-Neto, J. F.; Ulhoa, S. C.; Carneiro, F. L.

    2018-06-01

    Gyratonic pp-waves are exact solutions of Einstein’s equations that represent non-linear gravitational waves endowed with angular momentum. We consider gyratonic pp-waves that travel in the z direction and whose time dependence on the variable is given by Gaussians, so that the waves represent short bursts of gravitational radiation propagating in the z direction. We evaluate numerically the geodesics and velocities of free particles in the space-time of these waves, and find that after the passage of the waves both the kinetic energy and the angular momentum per unit mass of the particles are changed. Therefore there is a transfer of energy and angular momentum between the gravitational field and the free particles, so that the final values of the energy and angular momentum of the free particles may be smaller or larger in magnitude than the initial values.

  4. Dynamical and many-body correlation effects in the kinetic energy spectra of isotopes produced in nuclear multifragmentation

    Science.gov (United States)

    Souza, S. R.; Donangelo, R.; Lynch, W. G.; Tsang, M. B.

    2018-03-01

    The properties of the kinetic energy spectra of light isotopes produced in the breakup of a nuclear source and during the de-excitation of its products are examined. The initial stage, at which the hot fragments are created, is modeled by the statistical multifragmentation model, whereas the Weisskopf-Ewing evaporation treatment is adopted to describe the subsequent fragment de-excitation, as they follow their classical trajectories dictated by the Coulomb repulsion among them. The energy spectra obtained are compared to available experimental data. The influence of the fusion cross section entering into the evaporation treatment is investigated and its influence on the qualitative aspects of the energy spectra turns out to be small. Although these aspects can be fairly well described by the model, the underlying physics associated with the quantitative discrepancies remains to be understood.

  5. Maximally Rotating Supermassive Stars at the Onset of Collapse: The Perturbative Effects of Gas Pressure, Magnetic Fields, Dark Matter and Dark Energy

    Science.gov (United States)

    Butler, Satya P.; Lima, Alicia R.; Baumgarte, Thomas W.; Shapiro, Stuart L.

    2018-04-01

    The discovery of quasars at increasingly large cosmological redshifts may favor "direct collapse" as the most promising evolutionary route to the formation of supermassive black holes. In this scenario, supermassive black holes form when their progenitors - supermassive stars - become unstable to gravitational collapse. For uniformly rotating stars supported by pure radiation pressure and spinning at the mass-shedding limit, the critical configuration at the onset of collapse is characterized by universal values of the dimensionless spin and radius parameters J/M2 and R/M, independent of mass M. We consider perturbative effects of gas pressure, magnetic fields, dark matter and dark energy on these parameters, and thereby determine the domain of validity of this universality. We obtain leading-order corrections for the critical parameters and establish their scaling with the relevant physical parameters. We compare two different approaches to approximate the effects of gas pressure, which plays the most important role, find identical results for the above dimensionless parameters, and also find good agreement with recent numerical results.

  6. Controlling drug delivery kinetics from mesoporous titania thin films by pore size and surface energy

    Directory of Open Access Journals (Sweden)

    Karlsson J

    2015-07-01

    Full Text Available Johan Karlsson, Saba Atefyekta, Martin Andersson Department of Chemical and Biological Engineering, Chalmers University of Technology, Gothenburg, Sweden Abstract: The osseointegration capacity of bone-anchoring implants can be improved by the use of drugs that are administrated by an inbuilt drug delivery system. However, to attain superior control of drug delivery and to have the ability to administer drugs of varying size, including proteins, further material development of drug carriers is needed. Mesoporous materials have shown great potential in drug delivery applications to provide and maintain a drug concentration within the therapeutic window for the desired period of time. Moreover, drug delivery from coatings consisting of mesoporous titania has shown to be promising to improve healing of bone-anchoring implants. Here we report on how the delivery of an osteoporosis drug, alendronate, can be controlled by altering pore size and surface energy of mesoporous titania thin films. The pore size was varied from 3.4 nm to 7.2 nm by the use of different structure-directing templates and addition of a swelling agent. The surface energy was also altered by grafting dimethylsilane to the pore walls. The drug uptake and release profiles were monitored in situ using quartz crystal microbalance with dissipation (QCM-D and it was shown that both pore size and surface energy had a profound effect on both the adsorption and release kinetics of alendronate. The QCM-D data provided evidence that the drug delivery from mesoporous titania films is controlled by a binding–diffusion mechanism. The yielded knowledge of release kinetics is crucial in order to improve the in vivo tissue response associated to therapeutic treatments. Keywords: mesoporous titania, controlled drug delivery, release kinetics, alendronate, QCM-D

  7. Kinetic energy dependence of carrier diffusion in a GaAs epilayer studied by wavelength selective PL imaging

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, S. [University of North Carolina at Charlotte, Charlotte, NC 28223 (United States); Providence High School, Charlotte, NC 28270 (United States); Su, L.Q.; Kon, J. [University of North Carolina at Charlotte, Charlotte, NC 28223 (United States); Gfroerer, T. [Davidson College, Davidson, NC 28035 (United States); Wanlass, M.W. [National Renewable Energy Laboratory, Golden, CO 80401 (United States); Zhang, Y., E-mail: yong.zhang@uncc.edu [University of North Carolina at Charlotte, Charlotte, NC 28223 (United States)

    2017-05-15

    Photoluminescence (PL) imaging has been shown to be an efficient technique for investigating carrier diffusion in semiconductors. In the past, the measurement was typically carried out by measuring at one wavelength (e.g., at the band gap) or simply the whole emission band. At room temperature in a semiconductor like GaAs, the band-to-band PL emission may occur in a spectral range over 200 meV, vastly exceeding the average thermal energy of about 26 meV. To investigate the potential dependence of the carrier diffusion on the carrier kinetic energy, we performed wavelength selective PL imaging on a GaAs double hetero-structure in a spectral range from about 70 meV above to 50 meV below the bandgap, extracting the carrier diffusion lengths at different PL wavelengths by fitting the imaging data to a theoretical model. The results clearly show that the locally generated carriers of different kinetic energies mostly diffuse together, maintaining the same thermal distribution throughout the diffusion process. Potential effects related to carrier density, self-absorption, lateral wave-guiding, and local heating are also discussed.

  8. Exact results in nonequilibrium statistical mechanics: Formalism and applications in chemical kinetics and single-molecule free energy estimation

    Science.gov (United States)

    Adib, Artur B.

    In the last two decades or so, a collection of results in nonequilibrium statistical mechanics that departs from the traditional near-equilibrium framework introduced by Lars Onsager in 1931 has been derived, yielding new fundamental insights into far-from-equilibrium processes in general. Apart from offering a more quantitative statement of the second law of thermodynamics, some of these results---typified by the so-called "Jarzynski equality"---have also offered novel means of estimating equilibrium quantities from nonequilibrium processes, such as free energy differences from single-molecule "pulling" experiments. This thesis contributes to such efforts by offering three novel results in nonequilibrium statistical mechanics: (a) The entropic analog of the Jarzynski equality; (b) A methodology for estimating free energies from "clamp-and-release" nonequilibrium processes; and (c) A directly measurable symmetry relation in chemical kinetics similar to (but more general than) chemical detailed balance. These results share in common the feature of remaining valid outside Onsager's near-equilibrium regime, and bear direct applicability in protein folding kinetics as well as in single-molecule free energy estimation.

  9. From the Orbital Implementation of the Kinetic Theory to the Polarization Propagator Method in the Study of Energy Deposition Problems

    Science.gov (United States)

    Cabrera-Trujillo, R.; Cruz, S. A.; Soullard, J.

    The energy deposited by swift atomic-ion projectiles when colliding with a given target material has been a topic of special scientific interest for the last century due to the variety of applications of ion beams in modern materials technology as well as in medical physics. In this work, we summarize our contributions in this field as a consequence of fruitful discussions and enlightening ideas put forward by one of the main protagonists in stopping power theory during the last three decades: Jens Oddershede. Our review, mainly motivated by Jens' work, evolves from the extension of the orbital implementation of the kinetic theory of stopping through the orbital local plasma approximation, its use in studies of orbital and total mean excitation energies for the study of atomic and molecular stopping until the advances on generalized oscillator strength and sum rules in the study of stopping cross sections. Finally, as a tribute to Jens' work on the orbital implementation of the kinetic theory of stopping, in this work we present new results on the use of the Thomas-Fermi-Dirac-Weizsäcker density functional for the calculation of orbital and total atomic mean excitation energies. The results are applied to free-atoms and and extension is done to confined atoms - taking Si as an example - whereby target pressure effects on stopping are derived. Hence, evidence of the far-yield of Jens' ideas is given.

  10. Hybrid Fluid/Kinetic Modeling Of Magnetized High Energy Density Plasmas

    Science.gov (United States)

    Hansen, David; Held, Eric; King, Jacob; Stoltz, Peter; Masti, Robert; Srinivasan, Bhuvana

    2017-10-01

    MHD modeling with an equation of state (EOS) of the Rayleigh-Taylor (RT) instabily in Z indicates that it is seeded by the electro-thermal instability. Large thermodynamic drives associated with gradients at the interface between the liner and the coronal regions distort distribution functions and likely lead to non-local transport effects in a plasma which varies from weakly to strongly coupled. In this work, we discuss using effective potential theory along with a Chapman-Ensksog-like (CEL) formalism to develop hybrid fluid/kinetic modeling capabilities for these plasmas. Effective potential theory addresses the role of Coulomb collisions on transport across coupling regimes and the CEL approach bridges the gap between full-blow kinetic simulations and the EOS tables, which only depend locally on density and temperature. Quantitative results on the Spitzer problem across coupling coupling regimes will be presented as a first step. DOE Grant No. DE-SC0016525.

  11. Investigations on the influence of ion kinetic energy on mass discrimination in isotope ratio measurements using MC-ICPMS

    International Nuclear Information System (INIS)

    Fontaine, G.H.; Hattendorf, B.; Oberli, F.; Bourdon, B.; Guenther, D.

    2009-01-01

    Full text: Systematic dependence of mass discrimination on ICP operating parameters was investigated for two MCICPMS instruments, a Nu Plasma HR and a Nu Plasma 1700, which differ both in acceleration voltage and spectrometer geometry. Gas temperature variations were determined by absolute pressure measurements at the vacuum interface. Their influence on ion kinetic energy as monitored by means of a retardation filter fitted in front of an ion counting detector will be discussed and compared to effects resulting from variations in acceleration voltage. (author)

  12. Frequency Activated Fast Power Reserve for Wind Power Plant Delivered from Stored Kinetic Energy in the Wind Turbine Inertia

    DEFF Research Database (Denmark)

    Knüppel, Thyge; Thuring, P.; Kumar, S

    2011-01-01

    is proposed that delivers a short-term power reserve from the kinetic energy in the wind turbine (WT) inertia, while considering the inherent characteristics of a wind power plant. The aim is to contribute with a fast power reserve to stabilize the frequency drop during large and sudden production deficits......With increased penetration of converter interfaced generation, synchronous generators may start to be displaced to keep the overall power balance. As a consequence the resulting inertia in the system may decrease and make the power system more exposed to frequency excursions. Here, a control...

  13. Exact correlated kinetic energy related to the electron density for two-electron model atoms with harmonic confinement

    International Nuclear Information System (INIS)

    March, Norman H.; Akbari, Ali; Rubio, Angel

    2007-01-01

    For arbitrary interparticle interaction u(r 12 ), the model two-electron atom in the title is shown to be such that the ground-state electron density ρ(r) is determined uniquely by the correlated kinetic energy density t R (r) of the relative motion. Explicit results for t R (r) are presented for the Hookean atom with force constant k=1/4, and also for u(r 12 )=(λ)/(r 12 2 ) . Possible relevance of the Hookean atom treatment to the ground state of the helium atom itself is briefly discussed

  14. Study on reaction mechanism by analysis of kinetic energy spectra of light particles and formation of final products

    Science.gov (United States)

    Giardina, G.; Mandaglio, G.; Nasirov, A. K.; Anastasi, A.; Curciarello, F.; Fazio, G.

    2018-05-01

    The sensitivity of reaction mechanism in the formation of compound nucleus (CN) by the analysis of kinetic energy spectra of light particles and of reaction products are shown. The dependence of the P CN fusion probability of reactants and W sur survival probability of CN against fission at its deexcitation on the mass and charge symmetries in the entrance channel of heavy-ion collisions, as well as on the neutron numbers is discussed. The possibility of conducting a complex program of investigations of the complete fusion by reliable ways depends on the detailed and refined methods of experimental and theoretical analyses.

  15. Power generation using kinetics energy of rivers; Prototipo de um cata-agua como gerador de eletricidade

    Energy Technology Data Exchange (ETDEWEB)

    Harwood, John Harry [Instituto Nacional de Pesquisas da Amazonia (INPA), Manaus, AM (Brazil)

    1997-12-31

    The work talks about the possibility of make use of kinetic energy of Amazonian rivers for power generation using an equipment similar to wind conversion systems. One of this equipment was constructed and tested in Solimoes river (Amazonas State, Brazil) and utilized for supply an isolated property. Besides the problems with waste in the river and problems to fix the equipment, the result was very interesting and the cost was competitive with others options. The work presents also a scheme of equipment 3 refs., 4 figs., 1 tab.

  16. Study of the affinity between the protein kinase PKA and homoarginine-containing peptides derived from kemptide: Free energy perturbation (FEP) calculations.

    Science.gov (United States)

    Mena-Ulecia, Karel; Gonzalez-Norambuena, Fabian; Vergara-Jaque, Ariela; Poblete, Horacio; Tiznado, William; Caballero, Julio

    2018-02-05

    Protein kinases (PKs) discriminate between closely related sequences that contain serine, threonine, and/or tyrosine residues. Such specificity is defined by the amino acid sequence surrounding the phosphorylatable residue, so that it is possible to identify an optimal recognition motif (ORM) for each PK. The ORM for the protein kinase A (PKA), a well-known member of the PK family, is the sequence RRX(S/T)X, where arginines at the -3 and -2 positions play a key role with respect to the primed phosphorylation site. In this work, differential affinities of PKA for the peptide substrate Kemptide (LRRASLG) and mutants that substitute the arginine residues by the unnatural peptide homoarginine were evaluated through molecular dynamics (MD) and free energy perturbation (FEP) calculations. The FEP study for the homoarginine mutants required previous elaboration of a CHARMM "arginine to homoarginine" (R2B) hybrid topology file which is available in this manuscript as Supporting Information. Mutants substituting the arginine residues by alanine, lysine, and histidine were also considered in the comparison by using the same protocol. FEP calculations allowed estimating the free energy changes from the free PKA to PKA-substrate complex (ΔΔG E→ES ) when Kemptide structure was mutated. Both ΔΔG S→ES values for homoarginine mutants were predicted with a difference below 1 kcal/mol. In addition, FEP correctly predicted that all the studied mutations decrease the catalytic efficiency of Kemptide for PKA. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  17. Implosion anisotropy of neutron kinetic energy distributions as measured with the neutron time-of-flight diagnostics at the National Ignition Facility

    Science.gov (United States)

    Hartouni, Edward; Eckart, Mark; Field, John; Grim, Gary; Hatarik, Robert; Moore, Alastair; Munro, David; Sayer, Daniel; Schlossberg, David

    2017-10-01

    Neutron kinetic energy distributions from fusion reactions are characterized predominantly by the excess energy, Q, of the fusion reaction and the variance of kinetic energy which is related to the thermal temperature of the plasma as shown by e.g. Brysk. High statistics, high quality neutron time-of-flight spectra obtained at the National Ignition Facility provide a means of measuring small changes to the neutron kinetic energy due to the spatial and temporal distribution of plasma temperature, density and velocity. The modifications to the neutron kinetic energy distribution as described by Munro include plasma velocity terms with spatial orientation, suggesting that the neutron kinetic energy distributions could be anisotropic when viewed by multiple lines-of-sight. These anisotropies provide a diagnostic of burn averaged plasma velocity distributions. We present the results of measurements made for a variety of DT implosions and discuss their possible physical interpretations. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. Lawrence Livermore National Security, LLC.

  18. Developments in perturbation theory

    International Nuclear Information System (INIS)

    Greenspan, E.

    1976-01-01

    Included are sections dealing with perturbation expressions for reactivity, methods for the calculation of perturbed fluxes, integral transport theory formulations for reactivity, generalized perturbation theory, sensitivity and optimization studies, multigroup calculations of bilinear functionals, and solution of inhomogeneous Boltzmann equations with singular operators

  19. Application of linear and higher perturbation theory in reactor physics

    International Nuclear Information System (INIS)

    Woerner, D.

    1978-01-01

    For small perturbations in the material composition of a reactor according to the first approximation of perturbation theory the eigenvalue perturbation is proportional to the perturbation of the system. This assumption is true for the neutron flux not influenced by the perturbance. The two-dimensional code LINESTO developed for such problems in this paper on the basis of diffusion theory determines the relative change of the multiplication constant. For perturbations varying the neutron flux in the space of energy and position the eigenvalue perturbation is also influenced by this changed neutron flux. In such cases linear perturbation theory yields larger errors. Starting from the methods of calculus of variations there is additionally developed in this paper a perturbation method of calculation permitting in a quick and simple manner to assess the influence of flux perturbation on the eigenvalue perturbation. While the source of perturbations is evaluated in isotropic approximation of diffusion theory the associated inhomogeneous equation may be used to determine the flux perturbation by means of diffusion or transport theory. Possibilities of application and limitations of this method are studied in further systematic investigations on local perturbations. It is shown that with the integrated code system developed in this paper a number of local perturbations may be checked requiring little computing time. With it flux perturbations in first approximation and perturbations of the multiplication constant in second approximation can be evaluated. (orig./RW) [de

  20. Massive states in chiral perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Mallik, S [Saha Inst. of Nuclear Physics, Calcutta (India)

    1995-08-01

    It is shown that the chiral nonanalytic terms generated by {Delta}{sub 33} resonance in the nucleon self-energy is reproduced in chiral perturbation theory by perturbing appropriate local operators contained in the pion-nucleon effective Lagrangian itself. (orig.)

  1. Energy and Protein Supplementation Does Not Affect Protein and Amino Acid Kinetics or Pregnancy Outcomes in Underweight Indian Women.

    Science.gov (United States)

    Dwarkanath, Pratibha; Hsu, Jean W; Tang, Grace J; Anand, Pauline; Thomas, Tinku; Thomas, Annamma; Sheela, C N; Kurpad, Anura V; Jahoor, Farook

    2016-02-01

    In India, the prevalence of low birth weight is high in women with a low body mass index (BMI), suggesting that underweight women are not capable of providing adequate energy and protein for fetal growth. Furthermore, as pregnancy progresses, there is increased need to provide methyl groups for methylation reactions associated with the synthesis of new proteins and, unlike normal-BMI American women, low-BMI Indian women are unable to increase methionine transmethylation and remethylation rates as pregnancy progresses from trimester 1 to 3. This also negatively influences birth weight. The aim was to determine the effect of dietary supplementation with energy and protein from 12 ± 1 wk of gestation to time of delivery compared with no supplement on pregnancy outcomes, protein kinetics, and the fluxes of the methyl group donors serine and glycine. Protein kinetics and serine and glycine fluxes were measured by using standard stable isotope tracer methods in the fasting and postprandial states in 24 pregnant women aged 22.9 ± 0.7 y with low BMIs [BMI (in kg/m(2)) ≤18.5] at 12 ± 1 wk (trimester 1) and 30 ± 1 wk (trimester 3) of gestation. After the first measurement, subjects were randomly assigned to either receive the supplement (300 kcal/d, 15 g protein/d) or no supplement. Supplementation had no significant effect on any variable of pregnancy outcome, and except for fasting state decreases in leucine flux (125 ± 7.14 compared with 113 ± 5.06 μmol ⋅ kg(-1) ⋅ h(-1); P = 0.04) and nonoxidative disposal (110 ± 6.97 compared with 101 ± 3.69 μmol ⋅ kg(-1) ⋅ h(-1); P = 0.02) from trimesters 1 to 3, it had no effect on any other leucine kinetic variable or urea, glycine, and serine fluxes. We conclude that in Indian women with a low BMI, supplementation with energy and protein from week 12 of pregnancy to time of delivery does not improve pregnancy outcome, whole-body protein kinetics, or serine and glycine fluxes. © 2016 American Society for Nutrition.

  2. Isocurvature perturbations in the Ekpyrotic Universe

    International Nuclear Information System (INIS)

    Notari, A.; Riotto, A.

    2002-01-01

    The Ekpyrotic scenario assumes that our visible Universe is a boundary brane in a five-dimensional bulk and that the hot Big Bang occurs when a nearly supersymmetric five-brane travelling along the fifth dimension collides with our visible brane. We show that the generation of isocurvature perturbations is a generic prediction of the Ekpyrotic Universe. This is due to the interactions in the kinetic terms between the brane modulus parameterizing the position of the five-brane in the bulk and the dilaton and volume moduli. We show how to separate explicitly the adiabatic and isocurvature modes by performing a rotation in field space. Our results indicate that adiabatic and isocurvature perturbations might be cross-correlated and that curvature perturbations might be entirely seeded by isocurvature perturbations

  3. Cosmological perturbations in the new Higgs inflation

    Energy Technology Data Exchange (ETDEWEB)

    Germani, Cristiano [Arnold Sommerfeld Center, Ludwig-Maximilians-University, Theresienstr, 37 80333 Muenchen (Germany); Kehagias, Alex, E-mail: cristiano.germani@lmu.de, E-mail: kehagias@central.ntua.gr [Physics Division, National Technical University of Athens, 15780 Zografou Campus, Athens (Greece)

    2010-05-01

    We study the cosmological perturbations created during the New Higgs inflationary phase. In the New Higgs Inflation, the Higgs boson is kinetically coupled to the Einstein tensor and only three perturbative degrees of freedom, a scalar and two tensorial (gravitational waves), propagate during Inflation. Scalar perturbations are found to match the latest WMAP-7yrs data within Standard Model Higgs parameters. Primordial gravitational waves also, although propagating with superluminal speed, are consistent with present data. Finally, we estimate the values of the parameter of the New Higgs Inflation in relation to the Higgs mass, the spectral index and amplitude of the primordial scalar perturbations showing that the unitarity bound of the theory is not violated.

  4. Estimation of the Binding Free Energy of AC1NX476 to HIV-1 Protease Wild Type and Mutations Using Free Energy Perturbation Method.

    Science.gov (United States)

    Ngo, Son Tung; Mai, Binh Khanh; Hiep, Dinh Minh; Li, Mai Suan

    2015-10-01

    The binding mechanism of AC1NX476 to HIV-1 protease wild type and mutations was studied by the docking and molecular dynamics simulations. The binding free energy was calculated using the double-annihilation binding free energy method. It is shown that the binding affinity of AC1NX476 to wild type is higher than not only ritonavir but also darunavir, making AC1NX476 become attractive candidate for HIV treatment. Our theoretical results are in excellent agreement with the experimental data as the correlation coefficient between calculated and experimentally measured binding free energies R = 0.993. Residues Asp25-A, Asp29-A, Asp30-A, Ile47-A, Gly48-A, and Val50-A from chain A, and Asp25-B from chain B play a crucial role in the ligand binding. The mutations were found to reduce the receptor-ligand interaction by widening the binding cavity, and the binding propensity is mainly driven by the van der Waals interaction. Our finding may be useful for designing potential drugs to combat with HIV. © 2015 John Wiley & Sons A/S.

  5. Perturbation theory in large order

    International Nuclear Information System (INIS)

    Bender, C.M.

    1978-01-01

    For many quantum mechanical models, the behavior of perturbation theory in large order is strikingly simple. For example, in the quantum anharmonic oscillator, which is defined by -y'' + (x 2 /4 + ex 4 /4 - E) y = 0, y ( +- infinity) = 0, the perturbation coefficients, A/sub n/, in the expansion for the ground-state energy, E(ground state) approx. EPSILON/sub n = 0//sup infinity/ A/sub n/epsilon/sup n/, simplify dramatically as n → infinity: A/sub n/ approx. (6/π 3 )/sup 1/2/(-3)/sup n/GAMMA(n + 1/2). Methods of applied mathematics are used to investigate the nature of perturbation theory in quantum mechanics and show that its large-order behavior is determined by the semiclassical content of the theory. In quantum field theory the perturbation coefficients are computed by summing Feynman graphs. A statistical procedure in a simple lambda phi 4 model for summing the set of all graphs as the number of vertices → infinity is presented. Finally, the connection between the large-order behavior of perturbation theory in quantum electrodynamics and the value of α, the charge on the electron, is discussed. 7 figures

  6. Altered Right Ventricular Kinetic Energy Work Density and Viscous Energy Dissipation in Patients with Pulmonary Arterial Hypertension: A Pilot Study Using 4D Flow MRI.

    Directory of Open Access Journals (Sweden)

    Q Joyce Han

    Full Text Available Right ventricular (RV function has increasingly being recognized as an important predictor for morbidity and mortality in patients with pulmonary arterial hypertension (PAH. The increased RV after-load increase RV work in PAH. We used time-resolved 3D phase contrast MRI (4D flow MRI to derive RV kinetic energy (KE work density and energy loss in the pulmonary artery (PA to better characterize RV work in PAH patients.4D flow and standard cardiac cine images were obtained in ten functional class I/II patients with PAH and nine healthy subjects. For each individual, we calculated the RV KE work density and the amount of viscous dissipation in the PA.PAH patients had alterations in flow patterns in both the RV and the PA compared to healthy subjects. PAH subjects had significantly higher RV KE work density than healthy subjects (94.7±33.7 mJ/mL vs. 61.7±14.8 mJ/mL, p = 0.007 as well as a much greater percent PA energy loss (21.1±6.4% vs. 2.2±1.3%, p = 0.0001 throughout the cardiac cycle. RV KE work density and percent PA energy loss had mild and moderate correlations with RV ejection fraction.This study has quantified two kinetic energy metrics to assess RV function using 4D flow. RV KE work density and PA viscous energy loss not only distinguished healthy subjects from patients, but also provided distinction amongst PAH patients. These metrics hold promise as imaging markers for RV function.

  7. Altered Right Ventricular Kinetic Energy Work Density and Viscous Energy Dissipation in Patients with Pulmonary Arterial Hypertension: A Pilot Study Using 4D Flow MRI.

    Science.gov (United States)

    Han, Q Joyce; Witschey, Walter R T; Fang-Yen, Christopher M; Arkles, Jeffrey S; Barker, Alex J; Forfia, Paul R; Han, Yuchi

    2015-01-01

    Right ventricular (RV) function has increasingly being recognized as an important predictor for morbidity and mortality in patients with pulmonary arterial hypertension (PAH). The increased RV after-load increase RV work in PAH. We used time-resolved 3D phase contrast MRI (4D flow MRI) to derive RV kinetic energy (KE) work density and energy loss in the pulmonary artery (PA) to better characterize RV work in PAH patients. 4D flow and standard cardiac cine images were obtained in ten functional class I/II patients with PAH and nine healthy subjects. For each individual, we calculated the RV KE work density and the amount of viscous dissipation in the PA. PAH patients had alterations in flow patterns in both the RV and the PA compared to healthy subjects. PAH subjects had significantly higher RV KE work density than healthy subjects (94.7±33.7 mJ/mL vs. 61.7±14.8 mJ/mL, p = 0.007) as well as a much greater percent PA energy loss (21.1±6.4% vs. 2.2±1.3%, p = 0.0001) throughout the cardiac cycle. RV KE work density and percent PA energy loss had mild and moderate correlations with RV ejection fraction. This study has quantified two kinetic energy metrics to assess RV function using 4D flow. RV KE work density and PA viscous energy loss not only distinguished healthy subjects from patients, but also provided distinction amongst PAH patients. These metrics hold promise as imaging markers for RV function.

  8. The effect of vortex merging and non-merging on the transfer of modal turbulent kinetic energy content

    Science.gov (United States)

    Ground, Cody; Vergine, Fabrizio; Maddalena, Luca

    2016-08-01

    A defining feature of the turbulent free shear layer is that its growth is hindered by compressibility effects, thus limiting its potential to sufficiently mix the injected fuel and surrounding airstream at the supersonic Mach numbers intrinsic to the combustor of air-breathing hypersonic vehicles. The introduction of streamwise vorticity is often proposed in an attempt to counteract these undesired effects. This fact makes the strategy of introducing multiple streamwise vortices and imposing upon them certain modes of mutual interaction in order to potentially enhance mixing an intriguing concept. However, many underlying fundamental characteristics of the flowfields in the presence such interactions are not yet well understood; therefore, the fundamental physics of these flowfields should be independently investigated before the explicit mixing performance is characterized. In this work, experimental measurements are taken with the stereoscopic particle image velocimetry technique on two specifically targeted modes of vortex interaction—the merging and non-merging of two corotating vortices. The fluctuating velocity fields are analyzed utilizing the proper orthogonal decomposition (POD) in order to identify the content, organization, and distribution of the modal turbulent kinetic energy content of the fluctuating velocity eigenmodes. The effects of the two modes of vortex interaction are revealed by the POD analysis which shows distinct differences in the modal features of the two cases. When comparing the low-order eigenmodes of the two cases, the size of the structures contained within the first ten modes is seen to increase as the flow progresses downstream for the merging case, whereas the opposite is true for the non-merging case. Additionally, the relative modal energy contribution of the first ten eigenmodes increases as the vortices evolve downstream for the merging case, whereas in the non-merging case the relative modal energy contribution decreases

  9. Validation of a Numerical Program for Analyzing Kinetic Energy Potential in the Bangka Strait, North Sulawesi, Indonesia

    Science.gov (United States)

    Rompas, P. T. D.; Taunaumang, H.; Sangari, F. J.

    2018-02-01

    The paper presents validation of the numerical program that computes the distribution of marine current velocities in the Bangka strait and the kinetic energy potential in the form the distributions of available power per area in the Bangka strait. The numerical program used the RANS model where the pressure distribution in the vertical assumed to be hydrostatic. The 2D and 3D numerical program results compared with the measurement results that are observation results to the moment conditions of low and high tide currents. It found no different significant between the numerical results and the measurement results. There are 0.97-2.2 kW/m2 the kinetic energy potential in the form the distributions of available power per area in the Bangka strait when low tide currents, whereas when high tide currents of 1.02-2.1 kW/m2. The results show that to be enabling the installation of marine current turbines for construction of power plant in the Bangka strait, North Sulawesi, Indonesia.

  10. Novel approaches to estimating the turbulent kinetic energy dissipation rate from low- and moderate-resolution velocity fluctuation time series

    Directory of Open Access Journals (Sweden)

    M. Wacławczyk

    2017-11-01

    Full Text Available In this paper we propose two approaches to estimating the turbulent kinetic energy (TKE dissipation rate, based on the zero-crossing method by Sreenivasan et al. (1983. The original formulation requires a fine resolution of the measured signal, down to the smallest dissipative scales. However, due to finite sampling frequency, as well as measurement errors, velocity time series obtained from airborne experiments are characterized by the presence of effective spectral cutoffs. In contrast to the original formulation the new approaches are suitable for use with signals originating from airborne experiments. The suitability of the new approaches is tested using measurement data obtained during the Physics of Stratocumulus Top (POST airborne research campaign as well as synthetic turbulence data. They appear useful and complementary to existing methods. We show the number-of-crossings-based approaches respond differently to errors due to finite sampling and finite averaging than the classical power spectral method. Hence, their application for the case of short signals and small sampling frequencies is particularly interesting, as it can increase the robustness of turbulent kinetic energy dissipation rate retrieval.

  11. A study on the kinetics of high-energy phosphates in myocardium by phosphorous nuclear magnetic resonance

    International Nuclear Information System (INIS)

    Kusuoka, Hideo; Tsuneoka, Yutaka; Inoue, Michitoshi; Abe, Hiroshi; Watari, Hiroshi.

    1982-01-01

    Effect of artificial blood, FC 43 (Perfluorochemicals) on the kinetics of high-energy phosphate in the myocardium was evaluated by 31 P-NMR which permits a continuous and non-invasive assessment of in vivo phosphorus compounds. Cardiac perfusion was carried out on a excised rat heart with a Krebs-Henseleit modified solution and FC 43 alternately. Under the normal condition, ischemic condition, and at second perfusion amounts of intramyocardial creatine phosphoric acid, ATP, and inorganic phosphorus were determined by 31 P-NMR. Coronary flow was simultaneously estimated. The ischemic state due to interruption of perfusion resulted in a decrease in creatine phosphoric acid, which was associated with an increase in inorganic phosphorus and intracellular acidosis. No change of ATP amount was observed under ischemic state. With resumption of perfusion, the levels of creatine phosphoric acid and inorganic phosphorus rapidly returned to the normal. In the group of FC 43, coronary flow was 2.68 ml/min/g of the heart weight, about 1/2 of that of the Krebs-Henseleit group (5.68 ml/min/g of the heart weight). In controls, there was no difference between the two groups concerning creatine phosphoric acid level and recovery of creatine phospohric acid level after ischemia. These results showed that FC 43 supplies sufficient oxygen, and has no effect on the kinetics of energy in the myocardium. (Ueda, J.)

  12. Coupling the photon kinetics of soft photons with high energy photons

    Science.gov (United States)

    Silva, L. O.; Bingham, R.

    2017-10-01

    The description of electromagnetic fields based on the generalized photon kinetic theory, which takes advantage of the Wigner-Moyal description for the corresponding classical field theory, is capable of capturing collective plasma dynamics in the relativistic regime driven by broadband incoherent or partially coherent sources. We explore the possibility to extend this description to include the dynamics of hard photons in the plasma, whose interaction is dominated by single scattering processes. Examples of the modification of classical plasma instabilities due to the presence of hard photons is discussed. Work supported by the European Research Council (ERC-AdG-2015 InPairs Grant No. 695088).

  13. Prediction of point-defect migration energy barriers in alloys using artificial intelligence for atomistic kinetic Monte Carlo applications

    Energy Technology Data Exchange (ETDEWEB)

    Castin, N. [Structural Materials Group, Nuclear Materials Science Institute, Studiecentrum voor Kerneenergie Centre d' etude de l' energie nucleaire (SCK CEN), Boeretang 200, B-2400 Mol (Belgium); Universite Libre de Bruxelles (ULB), Physique des Solides Irradies et Nanostructures (PSIN), CP234 Boulevard du triomphe, Brussels (Belgium); Malerba, L. [Structural Materials Group, Nuclear Materials Science Institute, Studiecentrum voor Kerneenergie Centre d' etude de l' energie nucleaire (SCK CEN), Boeretang 200, B-2400 Mol (Belgium)], E-mail: lmalerba@sckcen.be

    2009-09-15

    We significantly improved a previously proposed method to take into account chemical and also relaxation effects on point-defect migration energy barriers, as predicted by an interatomic potential, in a rigid lattice atomistic kinetic Monte Carlo simulation. Examples of energy barriers are rigorously calculated, including chemical and relaxation effects, as functions of the local atomic configuration, using a nudged elastic bands technique. These examples are then used to train an artificial neural network that provides the barriers on-demand during the simulation for each configuration encountered by the migrating defect. Thanks to a newly developed training method, the configuration can include a large number of neighbour shells, thereby properly including also strain effects. Satisfactory results have been obtained when the configuration includes different chemical species only. The problems encountered in the extension of the method to configurations including any number of point-defects are stated and solutions to tackle them are sketched.

  14. PFI-ZEKE (Pulsed Field Ionization-Zero Electron Kinetic Energy) para el estudio de iones

    Science.gov (United States)

    Castaño, F.; Fernández, J. A.; Basterretxea, A. Longarte. F.; Sánchez Rayo, M. N.; Martínez, R.

    Entre las áreas hacia donde ha evolucionado la Química en los últimos años están los estudios de sistemas con especies reactivas de alta energía y los dominados por fuerzas intermoleculares débiles, con energías de unas pocas kcal/mol. En efecto, el estudio de las propiedades de los iones, comenzando por su relación con la molécula neutra de la que procede, la energía de ionización, los estados vibracionales y rotacionales, energías de enlace de Van der Waals entre el ión y una amplia variedad de otras moléculas, sus confórmeros o isómeros y sus reacciones o semi-reacciones químicas están en la raíz de la necesidad de la espectroscopía conocida como PFI-ZEKE, Pulsed Field Ionization-Zero Electron Kinetic Energy. Entre las aplicaciones que requieren estos conocimientos se encuentran la generación de plasmas para la fabricación de semiconductores, memorias magnéticas, etc, así como los sistemas astrofísicos, la ionosfera terrestre, etc. La espectroscopía ZEKE es una evolución de las de fluorescencia inducida por láser, LIF, ionización multifotónica acrecentada por resonancia, REMPI, con uno y dos colores y acoplada a un sistema de tiempo de vuelo, REMPI-TOF-MS, y las espectroscopías de doble resonancia IR-UV y UV-UV. Sus espectros y la ayuda de cálculos ab inicio permite determinar las energías de enlace de complejos de van der Waals en estados fundamental y excitados, identificar confórmeros e isómeros, obtener energías de ionización experimentales aproximadas (100 cm-1) y otras variables de interés. Al igual que con LIF, REMPI y dobles resonancias, es posible utilizar muestras gaseosas, pero los espectros están muy saturados de bandas y su interpretación es difícil o imposible. Se evitan estas dificultades estudiando las moléculas o complejos en expansiones supersónicas, donde la T de los grados de libertad solo alcanzan unos pocos K. Para realizar experimentos de ZEKE hay que utilizar una propiedad recientemente

  15. Interfacial mixing in high-energy-density matter with a multiphysics kinetic model

    Science.gov (United States)

    Haack, Jeffrey R.; Hauck, Cory D.; Murillo, Michael S.

    2017-12-01

    We have extended a recently developed multispecies, multitemperature Bhatnagar-Gross-Krook model [Haack et al., J. Stat. Phys. 168, 822 (2017), 10.1007/s10955-017-1824-9], to include multiphysics capabilities that enable modeling of a wider range of physical conditions. In terms of geometry, we have extended from the spatially homogeneous setting to one spatial dimension. In terms of the physics, we have included an atomic ionization model, accurate collision physics across coupling regimes, self-consistent electric fields, and degeneracy in the electronic screening. We apply the model to a warm dense matter scenario in which the ablator-fuel interface of an inertial confinement fusion target is heated, but for larger length and time scales and for much higher temperatures than can be simulated using molecular dynamics. Relative to molecular dynamics, the kinetic model greatly extends the temperature regime and the spatiotemporal scales over which we are able to model. In our numerical results we observe hydrogen from the ablator material jetting into the fuel during the early stages of the implosion and compare the relative size of various diffusion components (Fickean diffusion, electrodiffusion, and barodiffusion) that drive this process. We also examine kinetic effects, such as anisotropic distributions and velocity separation, in order to determine when this problem can be described with a hydrodynamic model.

  16. Cross-beam energy transfer: On the accuracy of linear stationary models in the linear kinetic regime

    Science.gov (United States)

    Debayle, A.; Masson-Laborde, P.-E.; Ruyer, C.; Casanova, M.; Loiseau, P.

    2018-05-01

    We present an extensive numerical study by means of particle-in-cell simulations of the energy transfer that occurs during the crossing of two laser beams. In the linear regime, when ions are not trapped in the potential well induced by the laser interference pattern, a very good agreement is obtained with a simple linear stationary model, provided the laser intensity is sufficiently smooth. These comparisons include different plasma compositions to cover the strong and weak Landau damping regimes as well as the multispecies case. The correct evaluation of the linear Landau damping at the phase velocity imposed by the laser interference pattern is essential to estimate the energy transfer rate between the laser beams, once the stationary regime is reached. The transient evolution obtained in kinetic simulations is also analysed by means of a full analytical formula that includes 3D beam energy exchange coupled with the ion acoustic wave response. Specific attention is paid to the energy transfer when the laser presents small-scale inhomogeneities. In particular, the energy transfer is reduced when the laser inhomogeneities are comparable with the Landau damping characteristic length of the ion acoustic wave.

  17. Kinetic energy spectrum and polarization of neutrons from the reaction 12C(p,n)X at 590 MeV

    International Nuclear Information System (INIS)

    Arnold, J.

    1998-01-01

    The kinetic energy spectrum and the polarization of the PSI neutron beam produced in the reaction 12 C(p,n)X at 0 with 590 MeV polarized protons were investigated. A strong energy dependence of the neutron beam polarization is observed which was not expected at the time the neutron beam was built. (orig.)

  18. Influence of the height of the vegetation cover in the variation of the kinetic energy of raindrops intercepted; Influencia de la altura de la cubierta vegetal en la variacion de la energia cinetica de las gotas de lluvia interceptadas

    Energy Technology Data Exchange (ETDEWEB)

    Roldan Soriano, M.

    2009-07-01

    The erosive capacity of raindrops is function of mass (size) and terminal velocity. Drop mass and velocity govern the inherent erosivity of rainfall through kinetic energy. Kinetic energy is a very important property of the rainfall because it is one of the sources of energy in the process of water erosion. Vegetative canopy intercepts the raindrops and causes a variation on this rainfall kinetic energy due to modification of diameters and velocities distributions. If the height of canopy is enough, the bigger intercepted drops could achieve high velocities and their kinetic energies can increases. In this paper a quantitative evaluation of the increase of kinetic energy of intercepted drops is obtained and it is showed that this kinetic energy increases exponentially with vegetation height. (Author) 9 refs.

  19. Kinetics and

    Directory of Open Access Journals (Sweden)

    Mojtaba Ahmadi

    2016-11-01

    Full Text Available The aqueous degradation of Reactive Yellow 84 (RY84 by potassium peroxydisulfate (K2S2O8 has been studied in laboratory scale experiments. The effect of the initial concentrations of potassium peroxydisulfate and RY84, pH and temperature on RY84 degradation were also examined. Experimental data were analyzed using first and second-order kinetics. The degradation kinetics of RY84 of the potassium peroxydisulfate process followed the second-order reaction kinetics. These rate constants have an extreme values similar to of 9.493 mM−1min−1 at a peroxydisulfate dose of 4 mmol/L. Thermodynamic parameters such as activation (Ea and Gibbs free energy (ΔG° were also evaluated. The negative value of ΔGo and Ea shows the spontaneous reaction natural conditions and exothermic nature.

  20. Track etch parameters and annealing kinetics assessment of protons of low energy in CR-39 detector

    International Nuclear Information System (INIS)

    Jain, R.K.; Kumar, Ashok; Singh, B.K.

    2012-01-01

    Highlights: ► We calibrate CR-39 detector with very low energy protons. ► We establish linear relationship between track diameter and time/energy up to 200 keV. ► We determine activation energy of annealing using different models. ► We justify concept of single annealing activation energy in CR-39. - Abstract: In this paper threshold of the registration sensitivity of very low energy proton in CR-39 is investigated. Irradiation of CR-39 (poly-allyl-diglycol carbonate) was carried out with very low energy mono energetic protons of 20–60 keV from a mini proton accelerator. Nearly 10 4 /cm 2 fluence of protons was used. The variation of track diameter with etching time as well as proton energy response curve was carefully calibrated. The bulk and track etch rates were measured by using proton track diameters. Bulk etch rate was also measured by the thickness of removed surface layer. The thermal annealing of proton track at temperatures ranging from 100 to 200 °C in CR-39 was studied by several models. Activation energy of annealed CR-39 detectors was calculated by slope of track etch rate and temperature plot. The data of proton tracks of 200, 250 and 300 keV from 400 kV Van-de-Graaff accelerator was also used and compared with the track diameters of different energies of proton.

  1. The troposphere-to-stratosphere transition in kinetic energy spectra and nonlinear spectral fluxes as seen in ECMWF analyses

    Science.gov (United States)

    Burgess, A. B. H.; Erler, A. R.; Shepherd, T. G.

    2012-04-01

    We present spectra, nonlinear interaction terms, and fluxes computed for horizontal wind fields from high-resolution meteorological analyses made available by ECMWF for the International Polar Year. Total kinetic energy spectra clearly show two spectral regimes: a steep spectrum at large scales and a shallow spectrum in the mesoscale. The spectral shallowing appears at ~200 hPa, and is due to decreasing rotational power with height, which results in the shallower divergent spectrum dominating in the mesoscale. The spectra we find are steeper than those observed in aircraft data and GCM simulations. Though the analyses resolve total spherical harmonic wavenumbers up to n = 721, effects of dissipation on the fluxes and spectra are visible starting at about n = 200. We find a weak forward energy cascade and a downscale enstrophy cascade in the mesoscale. Eddy-eddy nonlinear kinetic energy transfers reach maximum amplitudes at the tropopause, and decrease with height thereafter; zonal mean-eddy transfers dominate in the stratosphere. In addition, zonal anisotropy reaches a minimum at the tropopause. Combined with strong eddy-eddy interactions, this suggests flow in the tropopause region is very active and bears the greatest resemblance to isotropic turbulence. We find constant enstrophy flux over a broad range of wavenumbers around the tropopause and in the upper stratosphere. A relatively constant spectral enstrophy flux at the tropopause suggests a turbulent inertial range, and that the enstrophy flux is resolved. A main result of our work is its implications for explaining the shallow mesoscale spectrum observed in aircraft wind measurements, GCM studies, and now meteorological analyses. The strong divergent component in the shallow mesoscale spectrum indicates unbalanced flow, and nonlinear transfers decreasing quickly with height are characteristic of waves, not turbulence. Together with the downscale flux of energ y through the shallow spectral range, these

  2. Study of uranium dioxyde sputtering induced by multicharged heavy ions at low and very low kinetic energy: projectile charge effect

    International Nuclear Information System (INIS)

    Haranger, F.

    2003-12-01

    Ion beam irradiation of a solid can lead to the emission of neutral or ionized atoms, molecules or clusters from the surface. This comes as a result of the atomic motion in the vicinity of the surface, induced by the transfer of the projectile energy. Then, the study of the sputtering process appears as a means to get a better understanding of the excited matter state around the projectile trajectory. In the case of slow multicharged ions, a strong electronic excitation can be achieved by the projectile neutralization above the solid surface and / or its deexcitation below the surface. Parallel to this, the slowing down of such ions is essentially related to elastic collision with the target atoms. The study of the effect of the initial charge state of slow multicharged ions, in the sputtering process, has been carried out by measuring the absolute angular distributions of emission of uranium atoms from a uranium dioxide surface. The experiments have been performed in two steps. First, the emitted particles are collected onto a substrate during irradiation. Secondly, the surface of the collectors is analyzed by Rutherford Backscattering Spectrometry (RBS). This method allows the characterization of the emission of neutrals, which are the vast majority of the sputtered particles. The results obtained provide an access to the evolution of the sputtering process as a function of xenon projectile ions charge state. The measurements have been performed over a wide kinetic energy range, from 81 down to 1.5 keV. This allowed a clear separation of the contribution of the kinetic energy and initial projectile charge state to the sputtering phenomenon. (author)

  3. Magnetic resonance measurement of turbulent kinetic energy for the estimation of irreversible pressure loss in aortic stenosis.

    Science.gov (United States)

    Dyverfeldt, Petter; Hope, Michael D; Tseng, Elaine E; Saloner, David

    2013-01-01

    The authors sought to measure the turbulent kinetic energy (TKE) in the ascending aorta of patients with aortic stenosis and to assess its relationship to irreversible pressure loss. Irreversible pressure loss caused by energy dissipation in post-stenotic flow is an important determinant of the hemodynamic significance of aortic stenosis. The simplified Bernoulli equation used to estimate pressure gradients often misclassifies the ventricular overload caused by aortic stenosis. The current gold standard for estimation of irreversible pressure loss is catheterization, but this method is rarely used due to its invasiveness. Post-stenotic pressure loss is largely caused by dissipation of turbulent kinetic energy into heat. Recent developments in magnetic resonance flow imaging permit noninvasive estimation of TKE. The study was approved by the local ethics review board and all subjects gave written informed consent. Three-dimensional cine magnetic resonance flow imaging was used to measure TKE in 18 subjects (4 normal volunteers, 14 patients with aortic stenosis with and without dilation). For each subject, the peak total TKE in the ascending aorta was compared with a pressure loss index. The pressure loss index was based on a previously validated theory relating pressure loss to measures obtainable by echocardiography. The total TKE did not appear to be related to global flow patterns visualized based on magnetic resonance-measured velocity fields. The TKE was significantly higher in patients with aortic stenosis than in normal volunteers (p < 0.001). The peak total TKE in the ascending aorta was strongly correlated to index pressure loss (R(2) = 0.91). Peak total TKE in the ascending aorta correlated strongly with irreversible pressure loss estimated by a well-established method. Direct measurement of TKE by magnetic resonance flow imaging may, with further validation, be used to estimate irreversible pressure loss in aortic stenosis. Copyright © 2013 American

  4. Distribution of the near-inertial kinetic energy inside mesoscale eddies: Observations in the Gulf of Mexico

    Science.gov (United States)

    Ixetl Garcia Gomez, Beatriz; Pallas Sanz, Enric; Candela Perez, Julio

    2017-04-01

    The near-inertial oscillations (NIOs), generated by the wind stress on the surface mixed layer, are the inertia gravity waves with the lowest frequency and the highest kinetic energy. NIOs are important because they drive vertical mixing in the interior ocean during wave breaking events. Although the interaction between NIOs and mesoscale eddies has been reported by several authors, these studies are mostly analytical and numerical, and only few observational studies have attempted to show the differences in near-inertial kinetic energy (KEi) between anticyclonic and cyclonic eddies. In this work the spatial structure of the KEi inside the mesoscale eddies is computed using daily satellite altimetry and observations of horizontal velocity from 23 moorings equipped with acoustic Doppler current profilers in the western Gulf of Mexico. Consistent to theory, the obtained four-year KEi-composites show two times more KEi inside the anticyclonic eddies than inside the cyclonic ones. The vertical and horizontal cross-sections of the KEi-composites show that the KEi is mainly located near to the surface of the cyclonic eddies (positive vorticity), whereas the KEi in anticyclonic eddies (negative vorticity) is maximum in the eddy's center near to the base of the eddy where the NIOs become more inertial, are trapped, and amplified. The mean vertical profiles show that the cyclonic eddies present a maximum of KEi near to the surface at 50, while the maximum of KEi in the anticyclonic eddies occurs between 900 and 1100 m. Inside anticyclonic eddies another two relative maximums are observed, one in the mixed layer and the second at 300 m. In contrast, the mean profile of KEi outside the mesoscale eddies has the maximum value at the surface ( 50 m), with high values of KEi in the first 200 m and negligible energy beneath that depth. A different mean distribution of the KEi is observed depending on the type of wind generator: tropical storms or unidirectional wind.

  5. Cars and Kinetic Energy--Some Simple Physics with Real-World Relevance

    Science.gov (United States)

    Parthasarathy, Raghuveer

    2012-01-01

    Understanding energy usage is crucial to understanding modern civilization, as well as many of the challenges it faces. Energy-related issues also offer real-world examples of important physical concepts, and as such have been the focus of several articles in "The Physics Teacher" in the past few decades (e.g., Refs. 1-5, noted further below).…

  6. Structural and kinetic mapping of side-chain exposure onto the protein energy landscape.

    Science.gov (United States)

    Bernstein, Rachel; Schmidt, Kierstin L; Harbury, Pehr B; Marqusee, Susan

    2011-06-28

    Identification and characterization of structural fluctuations that occur under native conditions is crucial for understanding protein folding and function, but such fluctuations are often rare and transient, making them difficult to study. Native-state hydrogen exchange (NSHX) has been a powerful tool for identifying such rarely populated conformations, but it generally reveals no information about the placement of these species along the folding reaction coordinate or the barriers separating them from the folded state and provides little insight into side-chain packing. To complement such studies, we have performed native-state alkyl-proton exchange, a method analogous to NSHX that monitors cysteine modification rather than backbone amide exchange, to examine the folding landscape of Escherichia coli ribonuclease H, a protein well characterized by hydrogen exchange. We have chosen experimental conditions such that the rate-limiting barrier acts as a kinetic partition: residues that become exposed only upon crossing the unfolding barrier are modified in the EX1 regime (alkylation rates report on the rate of unfolding), while those exposed on the native side of the barrier are modified predominantly in the EX2 regime (alkylation rates report on equilibrium populations). This kinetic partitioning allows for identification and placement of partially unfolded forms along the reaction coordinate. Using this approach we detect previously unidentified, rarely populated conformations residing on the native side of the barrier and identify side chains that are modified only upon crossing the unfolding barrier. Thus, in a single experiment under native conditions, both sides of the rate-limiting barrier are investigated.

  7. On the divergence of gradient expansions for kinetic energy functionals in the potential functional theory

    International Nuclear Information System (INIS)

    Sergeev, Alexey; Jovanovic, Raka; Kais, Sabre; Alharbi, Fahhad H

    2016-01-01

    We consider the density of a fermionic system as a functional of the potential, in one-dimensional case, where it is approximated by the Thomas–Fermi term plus semiclassical corrections through the gradient expansion. We compare this asymptotic series with the exact answer for the case of the harmonic oscillator and the Morse potential. It is found that the leading (Thomas–Fermi) term is in agreement with the exact density, but the subdominant term does not agree in terms of the asymptotic behavior because of the presence of oscillations in the exact density, but their absence in the gradient expansion. However, after regularization of the density by convolution with a Gaussian, the agreement can be established even in the subdominant term. Moreover, it is found that the expansion is always divergent, and its terms grow proportionally to the factorial function of the order, similar to the well-known divergence of perturbation series in field theory and the quantum anharmonic oscillator. Padé–Hermite approximants allow summation of the series, and one of the branches of the approximants agrees with the density. (paper)

  8. Energy

    CERN Document Server

    Foland, Andrew Dean

    2007-01-01

    Energy is the central concept of physics. Unable to be created or destroyed but transformable from one form to another, energy ultimately determines what is and isn''t possible in our universe. This book gives readers an appreciation for the limits of energy and the quantities of energy in the world around them. This fascinating book explores the major forms of energy: kinetic, potential, electrical, chemical, thermal, and nuclear.

  9. Kinetic energy and charge distributions of multiply charged ions produced by heavy ions and by synchrotron radiation

    International Nuclear Information System (INIS)

    Levin, J.C.; Biedermann, C.; Cederquist, H.; Liljeby, L.; Short, R.T.; Sellin, I.A.

    1989-01-01

    This paper contrasts two methods of production of multiply charged ions which may have application in future hot-atom chemistry experiments. Interest in extending the study of ion-atom collisions from MeV to keV to eV energies has grown rapidly in the last decade as previously inaccessible astrophysical, fusion, and spectroscopic problems have been addressed. One of these methods involves highly charged secondary beams formed from ions created in dilute gas samples irradiated by fast (MeV), high-charge-state, heavy ions. The measurements show, however, that such ions often have mean recoil energies two orders of magnitude higher than kinetic energies of ions in similar charge states resulting from vacancy cascades of atomic inner shells photoionized by synchrotron x rays. These results may be applicable to development of a cold source of highly charged ions featuring low energy spread and good angular definition. Results from other laboratories (Grandin et al at Ganil, Ullrich et al in Frankfurt, and Watson et al at Texas A ampersand M) will also be discussed

  10. Energy storage: feasibility study to collect, store and release energy from solar origin, using a kinetic battery stockage

    Energy Technology Data Exchange (ETDEWEB)

    Tatry, B

    1976-02-01

    The feasibility of using solar energy to feed an autonomous station providing electric current continuously was studied. As an energy storage device a 'superflywheel' (rotor with composite fibers - magnetic bearings) would be used. Results show that such an experiment can be reasonably envisaged only in highly sunny countries and that it becomes non profitable at our latitudes, despite the very good performance of the flywheel storage device.

  11. Kerr-CFT and gravitational perturbations

    International Nuclear Information System (INIS)

    Dias, Oscar J.C.; Reall, Harvey S.; Santos, Jorge E.

    2009-01-01

    Motivated by the Kerr-CFT conjecture, we investigate perturbations of the near-horizon extreme Kerr spacetime. The Teukolsky equation for a massless field of arbitrary spin is solved. Solutions fall into two classes: normal modes and traveling waves. Imposing suitable (outgoing) boundary conditions, we find that there are no unstable modes. The explicit form of metric perturbations is obtained using the Hertz potential formalism, and compared with the Kerr-CFT boundary conditions. The energy and angular momentum associated with scalar field and gravitational normal modes are calculated. The energy is positive in all cases. The behaviour of second order perturbations is discussed.

  12. Chiral perturbation theory

    International Nuclear Information System (INIS)

    Harada, Masayasu

    2009-01-01

    Chiral perturbation theory has been used for great number of phenomenological analyses in low energy QCD as well as the lattice QCD analyses since the creation of the theory by Weinberg in 1979 followed by its consolidation by Gasser and Leutwyler in 1984 and 85. The theory is now the highly established one as the approach based on the effective field theory to search for Green function including quantum correlations in the frame of the systematic expansion technique using Lagrangian which includes all of the terms allowed by the symmetry. This review has been intended to describe how systematically physical quantities are calculated in the framework of the chiral symmetry. Consequently many of the various phenomenological analyses are not taken up here for which other reports are to be referred. Further views are foreseen to be developed based on the theory in addition to numbers of results reported up to the present. Finally π-π scattering is taken up to discuss to what energy scale the theory is available. (S. Funahashi)

  13. Fission Fragment Mass Distributions and Total Kinetic Energy Release of 235-Uranium and 238-Uranium in Neutron-Induced Fission at Intermediate and Fast Neutron Energies

    Energy Technology Data Exchange (ETDEWEB)

    Duke, Dana Lynn [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-11-12

    This Ph.D. dissertation describes a measurement of the change in mass distributions and average total kinetic energy (TKE) release with increasing incident neutron energy for fission of 235U and 238U. Although fission was discovered over seventy-five years ago, open questions remain about the physics of the fission process. The energy of the incident neutron, En, changes the division of energy release in the resulting fission fragments, however, the details of energy partitioning remain ambiguous because the nucleus is a many-body quantum system. Creating a full theoretical model is difficult and experimental data to validate existing models are lacking. Additional fission measurements will lead to higher-quality models of the fission process, therefore improving applications such as the development of next-generation nuclear reactors and defense. This work also paves the way for precision experiments such as the Time Projection Chamber (TPC) for fission cross section measurements and the Spectrometer for Ion Determination in Fission (SPIDER) for precision mass yields.

  14. Large scale structures in the kinetic gravity braiding model that can be unbraided

    International Nuclear Information System (INIS)

    Kimura, Rampei; Yamamoto, Kazuhiro

    2011-01-01

    We study cosmological consequences of a kinetic gravity braiding model, which is proposed as an alternative to the dark energy model. The kinetic braiding model we study is characterized by a parameter n, which corresponds to the original galileon cosmological model for n = 1. We find that the background expansion of the universe of the kinetic braiding model is the same as the Dvali-Turner's model, which reduces to that of the standard cold dark matter model with a cosmological constant (ΛCDM model) for n equal to infinity. We also find that the evolution of the linear cosmological perturbation in the kinetic braiding model reduces to that of the ΛCDM model for n = ∞. Then, we focus our study on the growth history of the linear density perturbation as well as the spherical collapse in the nonlinear regime of the density perturbations, which might be important in order to distinguish between the kinetic braiding model and the ΛCDM model when n is finite. The theoretical prediction for the large scale structure is confronted with the multipole power spectrum of the luminous red galaxy sample of the Sloan Digital Sky survey. We also discuss future prospects of constraining the kinetic braiding model using a future redshift survey like the WFMOS/SuMIRe PFS survey as well as the cluster redshift distribution in the South Pole Telescope survey

  15. Simple Examples of the Interpretation of Changes in Kinetic and Potential Energy Under Galilean Transformations

    Science.gov (United States)

    Ginsberg, Edw. S.

    2018-02-01

    The compatibility of the Newtonian formulation of mechanical energy and the transformation equations of Galilean relativity is demonstrated for three simple examples of motion treated in most introductory physics courses (free fall, a frictionless inclined plane, and a mass/spring system). Only elementary concepts and mathematics, accessible to students at that level, are used. Emphasis is on pedagogy and concepts related to the transformation properties of potential energy.

  16. Reaction of hydrogen with Ag(111): binding states, minimum energy paths, and kinetics.

    Science.gov (United States)

    Montoya, Alejandro; Schlunke, Anna; Haynes, Brian S

    2006-08-31

    The interaction of atomic and molecular hydrogen with the Ag(111) surface is studied using periodic density functional total-energy calculations. This paper focuses on the site preference for adsorption, ordered structures, and energy barriers for H diffusion and H recombination. Chemisorbed H atoms are unstable with respect to the H(2) molecule in all adsorption sites below monolayer coverage. The three-hollow sites are energetically the most favorable for H chemisorption. The binding energy of H to the surface decreases slightly up to one monolayer, suggesting a small repulsive H-H interaction on nonadjacent sites. Subsurface and vacancy sites are energetically less favorable for H adsorption than on-top sites. Recombination of chemisorbed H atoms leads to the formation of gas-phase H(2) with no molecular chemisorbed state. Recombination is an exothermic process and occurs on the bridge site with a pronounced energy barrier. This energy barrier is significantly higher than that inferred from experimental temperature-programmed desorption (TPD) studies. However, there is significant permeability of H atoms through the recombination energy barrier at low temperatures, thus increasing the rate constant for H(2) desorption due to quantum tunneling effects, and improving the agreement between experiment and theory.

  17. Kinetics and energy efficiency for the degradation of 1,4-dioxane by electro-peroxone process

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Huijiao; Bakheet, Belal; Yuan, Shi; Li, Xiang; Yu, Gang [School of Environment, Tsinghua University, Beijing 100084 (China); Murayama, Seiichi [Power and Industrial Systems R& D Center, Toshiba Corporation, Fuchu-shi, Tokyo (Japan); Wang, Yujue, E-mail: wangyujue@tsinghua.edu.cn [School of Environment, Tsinghua University, Beijing 100084 (China)

    2015-08-30

    Highlights: • E-peroxone couples electrolysis with ozonation to driven peroxone reaction for pollutant degradation. • Significant amounts of ·OH can be efficiently produced in the E-peroxone process. • E-peroxone greatly enhances 1,4-dioxane degradation kinetics compared with ozonation and electrolysis. • E-peroxone consumes less energy for 1,4-dioxane mineralization than ozonation and electrolysis. • E-peroxone offers a cost-effective and energy-efficient alternative to degrade 1,4-dioxane. - Abstract: Degradation of 1,4-dioxane by ozonation, electrolysis, and their combined electro-peroxone (E-peroxone) process was investigated. The E-peroxone process used a carbon-polytetrafluorethylene cathode to electrocatalytically convert O{sub 2} in the sparged ozone generator effluent (O{sub 2} and O{sub 3} gas mixture) to H{sub 2}O{sub 2}. The electro-generated H{sub 2}O{sub 2} then react with sparged O{sub 3} to yield aqueous ·OH, which can in turn oxidize pollutants rapidly in the bulk solution. Using p-chlorobenzoic acid as ·OH probe, the pseudo-steady concentration of ·OH was determined to be ∼0.744 × 10{sup −9} mM in the E-peroxone process, which is approximately 10 and 186 times of that in ozonation and electrolysis using a Pt anode. Thanks to its higher ·OH concentration, the E-peroxone process eliminated 96.6% total organic carbon (TOC) from a 1,4-dioxane solution after 2 h treatment with a specific energy consumption (SEC) of 0.376 kWh g{sup −1} TOC{sub removed}. In comparison, ozonation and electrolysis using a boron-doped diamond anode removed only ∼6.1% and 26.9% TOC with SEC of 2.43 and 0.558 kWh g{sup −1} TOC{sub removed}, respectively. The results indicate that the E-peroxone process can significantly improve the kinetics and energy efficiency for 1,4-dioxane mineralization as compared to the two individual processes. The E-peroxone process may thus offer a highly effective and energy-efficient alternative to treat 1,4-dioxane

  18. Intrinsic gas production kinetics of selected intermediates in anaerobic filters for demand-orientated energy supply.

    Science.gov (United States)

    Krümpel, Johannes Hagen; Illi, Lukas; Lemmer, Andreas

    2018-03-01

    As a consequence of a growing share of solar and wind power, recent research on biogas production highlighted a need for demand-orientated, flexible gas production to provide grid services and enable a decentralized stabilization of the electricity infrastructure. Two-staged anaerobic digestion is particularly suitable for shifting the methane production into times of higher demand due to the spatio-temporal separation of hydrolysis and methanogenesis. To provide a basis for predicting gas production in an anaerobic filter, kinetic parameters of gas production have been determined experimentally in this study. A new methodology is used, enabling their determination during continuous operation. An order in methane production rate could be established by comparing the half lives of methane production. The order was beginning with the fastest: acetic acid>ethanol>butyric acid>iso-butyric acid>valeric acid>propionic acid>1,2propanediol>lactic acid. However, the mixture of a natural hydrolysate from the acidification tank appeared to produce methane faster than all single components tested.

  19. The role of the von Weizsaecker kinetic energy gradient term in independent harmonically confined fermions for arbitrary two-dimensional closed-shell occupancy

    International Nuclear Information System (INIS)

    Howard, I A; March, N H

    2010-01-01

    The search for the single-particle kinetic energy functional T S [n] continues to be of major interest for density functional theory. Since it is expected to be generally applicable, exactly solvable models are of obvious interest. Here we focus on one, which is also of interest experimentally in magnetic trapping of ultracold fermion vapours. This is the model of independent harmonically trapped fermions in two dimensions. Here, the role of the von Weizsaecker inhomogeneity kinetic energy is a focal point, prompted also by the work of Delle Site (2005 J. Phys. A: Math. Gen. 38 7893).

  20. Idempotent Dirac density matrix for ten-electron central field inhomogeneous electron liquids in terms of electron- and kinetic energy-densities

    International Nuclear Information System (INIS)

    March, N.H.

    2006-08-01

    A differential equation for the Dirac density matrix γ(r, r'), given ground-state electron- and kinetic energy-densities, has been derived by March and Suhai for one- and two-level occupancy. For ten-electron spin-compensated spherical systems, it is shown here that γ ≡ γ[ρ, t g ] where ρ and t g are electron- and kinetic energy-densities. The philosophy of March and Suhai is confirmed beyond two-level filling. An important byproduct of the present approach is an explicit expression for the one-body potential of DFT in terms of the p-shell electron density. (author)

  1. Non-adiabatic perturbations in multi-component perfect fluids

    Energy Technology Data Exchange (ETDEWEB)

    Koshelev, N.A., E-mail: koshna71@inbox.ru [Ulyanovsk State University, Leo Tolstoy str 42, 432970 (Russian Federation)

    2011-04-01

    The evolution of non-adiabatic perturbations in models with multiple coupled perfect fluids with non-adiabatic sound speed is considered. Instead of splitting the entropy perturbation into relative and intrinsic parts, we introduce a set of symmetric quantities, which also govern the non-adiabatic pressure perturbation in models with energy transfer. We write the gauge invariant equations for the variables that determine on a large scale the non-adiabatic pressure perturbation and the rate of changes of the comoving curvature perturbation. The analysis of evolution of the non-adiabatic pressure perturbation has been made for several particular models.

  2. Non-adiabatic perturbations in multi-component perfect fluids

    International Nuclear Information System (INIS)

    Koshelev, N.A.

    2011-01-01

    The evolution of non-adiabatic perturbations in models with multiple coupled perfect fluids with non-adiabatic sound speed is considered. Instead of splitting the entropy perturbation into relative and intrinsic parts, we introduce a set of symmetric quantities, which also govern the non-adiabatic pressure perturbation in models with energy transfer. We write the gauge invariant equations for the variables that determine on a large scale the non-adiabatic pressure perturbation and the rate of changes of the comoving curvature perturbation. The analysis of evolution of the non-adiabatic pressure perturbation has been made for several particular models

  3. Proteomics reveal energy metabolism and mitogen-activated protein kinase signal transduction perturbation in human Borna disease virus Hu-H1-infected oligodendroglial cells.

    Science.gov (United States)

    Liu, X; Yang, Y; Zhao, M; Bode, L; Zhang, L; Pan, J; Lv, L; Zhan, Y; Liu, S; Zhang, L; Wang, X; Huang, R; Zhou, J; Xie, P

    2014-05-30

    Borna disease virus (BDV) is a neurotropic, non-cytolytic RNA virus which replicates in the cell nucleus targeting mainly hippocampal neurons, but also astroglial and oligodendroglial cells in the brain. BDV is associated with a large spectrum of neuropsychiatric pathologies in animals. Its relationship to human neuropsychiatric illness still remains controversial. We could recently demonstrate that human BDV strain Hu-H1 promoted apoptosis and inhibited cell proliferation in a human oligodendroglial cell line (OL cells) whereas laboratory BDV strain V acted contrariwise. Here, differential protein expression between BDV Hu-H1-infected OL cells and non-infected OL cells was assessed through a proteomics approach, using two-dimensional electrophoresis followed by matrix-assisted laser desorption ionization-time of flight tandem mass spectrometry. A total of 63 differential host proteins were identified in BDV Hu-H1-infected OL cells compared to non-infected OL cells. We found that most changes referred to alterations related to the pentose phosphate pathway, glyoxylate and dicarboxylate metabolism, the tricarboxylic acid (TCA) cycle, and glycolysis /gluconeogenesis. By manual querying, two differential proteins were found to be associated with mitogen-activated protein kinase (MAPK) signal transduction. Five key signaling proteins of this pathway (i.e., p-Raf, p-MEK, p-ERK1/2, p-RSK, and p-MSK) were selected for Western blotting validation. p-ERK1/2 and p-RSK were found to be significantly up-regulated, and p-MSK was found to be significantly down-regulated in BDV Hu-H1-infected OL cells compared to non-infected OL cell. Although BDV Hu-H1 constitutively activated the ERK-RSK pathway, host cell proliferation and nuclear translocation of activated pERK in BDV Hu-H1-infected OL cells were impaired. These findings indicate that BDV Hu-H1 infection of human oligodendroglial cells significantly perturbs host energy metabolism, activates the downstream ERK-RSK complex of

  4. Enhancing Understanding of Magnetized High Energy Density Plasmas from Solid Liner Implosions Using Fluid Modeling with Kinetic Closures

    Science.gov (United States)

    Masti, Robert; Srinivasan, Bhuvana; King, Jacob; Stoltz, Peter; Hansen, David; Held, Eric

    2017-10-01

    Recent results from experiments and simulations of magnetically driven pulsed power liners have explored the role of early-time electrothermal instability in the evolution of the MRT (magneto-Rayleigh-Taylor) instability. Understanding the development of these instabilities can lead to potential stabilization mechanisms; thereby providing a significant role in the success of fusion concepts such as MagLIF (Magnetized Liner Inertial Fusion). For MagLIF the MRT instability is the most detrimental instability toward achieving fusion energy production. Experiments of high-energy density plasmas from wire-array implosions have shown the requirement for more advanced physics modeling than that of ideal magnetohydrodynamics. The overall focus of this project is on using a multi-fluid extended-MHD model with kinetic closures for thermal conductivity, resistivity, and viscosity. The extended-MHD model has been updated to include the SESAME equation-of-state tables and numerical benchmarks with this implementation will be presented. Simulations of MRT growth and evolution for MagLIF-relevant parameters will be presented using this extended-MHD model with the SESAME equation-of-state tables. This work is supported by the Department of Energy Office of Science under Grant Number DE-SC0016515.

  5. ION KINETIC ENERGY CONSERVATION AND MAGNETIC FIELD STRENGTH CONSTANCY IN MULTI-FLUID SOLAR WIND ALFVÉNIC TURBULENCE

    Energy Technology Data Exchange (ETDEWEB)

    Matteini, L.; Horbury, T. S.; Schwartz, S. J. [The Blackett Laboratory, Imperial College London, SW7 2AZ (United Kingdom); Pantellini, F. [LESIA, Observatoire de Paris, CNRS, UPMC, Universit Paris-Diderot, 5 Place Jules Janssen, F-92195 Meudon (France); Velli, M. [Department of Earth, Planetary, and Space Sciences, UCLA, California (United States)

    2015-03-20

    We investigate the properties of plasma fluid motion in the large-amplitude, low-frequency fluctuations of highly Alfvénic fast solar wind. We show that protons locally conserve total kinetic energy when observed from an effective frame of reference comoving with the fluctuations. For typical properties of the fast wind, this frame can be reasonably identified by alpha particles which, due to their drift with respect to protons at about the Alfvén speed along the magnetic field, do not partake in the fluid low-frequency fluctuations. Using their velocity to transform the proton velocity into the frame of Alfvénic turbulence, we demonstrate that the resulting plasma motion is characterized by a constant absolute value of the velocity, zero electric fields, and aligned velocity and magnetic field vectors as expected for unidirectional Alfvénic fluctuations in equilibrium. We propose that this constraint, via the correlation between velocity and magnetic field in Alfvénic turbulence, is the origin of the observed constancy of the magnetic field; while the constant velocity corresponding to constant energy can only be observed in the frame of the fluctuations, the corresponding constant total magnetic field, invariant for Galilean transformations, remains the observational signature in the spacecraft frame of the constant total energy in the Alfvén turbulence frame.

  6. New Approaches and Applications for Monte Carlo Perturbation Theory

    Energy Technology Data Exchange (ETDEWEB)

    Aufiero, Manuele; Bidaud, Adrien; Kotlyar, Dan; Leppänen, Jaakko; Palmiotti, Giuseppe; Salvatores, Massimo; Sen, Sonat; Shwageraus, Eugene; Fratoni, Massimiliano

    2017-02-01

    This paper presents some of the recent and new advancements in the extension of Monte Carlo Perturbation Theory methodologies and application. In particular, the discussed problems involve Brunup calculation, perturbation calculation based on continuous energy functions, and Monte Carlo Perturbation Theory in loosely coupled systems.

  7. Status of perturbative QCD

    International Nuclear Information System (INIS)

    Collins, J.C.

    1985-01-01

    Progress in quantum chromodynamics in the past year is reviewed in these specific areas: proof of factorization for hadron-hadron collisions, fast calculation of higher order graphs, perturbative Monte Carlo calculations for hadron-hadron scattering, applicability of perturbative methods to heavy quark production, and understanding of the small-x problem. 22 refs

  8. Fission-fragment angular distributions and total kinetic energies for 235U(n,f) from .18 to 8.83 MeV

    International Nuclear Information System (INIS)

    Meadows, J.W.; Budtz-Joergensen, C.

    1982-01-01

    A gridded ion chamber was used to measure the fission fragment angular distribution and total kinetic energy for the 235 U(n,f) reaction from 0.18 to 8.81 MeV neutron energy. The anisotropies are in generally good agreement with earlier measurements. The average total kinetic energy is approx. 0.2 MeV greater than the thermal value at neutron energies < 2 MeV and shows a sudden decrease of approx. 0.8 MeV between 4 and 5 MeV neutron energy, well below the (n, n'f) threshold. Possible causes of this decrease are a change in the mass distribution or decreased shell effects in the heavy fragment

  9. Biomass estimates, characteristics, biochemical methane potential, kinetics and energy flow from Jatropha curcus on dry lands

    Energy Technology Data Exchange (ETDEWEB)

    Nallathambi Gunaseelan, V. [Department of Zoology, PSG College of Arts and Science, Coimbatore 641 014 (India)

    2009-04-15

    In this study, we examined the production of Jatropha curcus plants on 1 ha of rain fed dry lands. All of the plant components that would result from plantation tending, fruit harvesting and processing were sampled for their yield and chemical composition, and then subjected to the biochemical methane potential (BMP) assay. The component parts exhibited significant variation in BMP which was reflected in their ultimate methane yield which ranged from 0.08 to 0.97 L g{sup -1} VS added, and their first order kinetics which ranged from 0.07 to 0.14 d{sup -1}. We examined two integrated utilization schemes: the first which converted plant prunings, fruit hulls and de-oiled seed cake to methane, and the oil to fatty acid methyl-ester (FAME); the second was to convert the seeds, plant prunings and fruit hulls entirely to methane. The basis for the plantation was, a density of 4444 plant ha{sup -1} (1.5 m x 1.5 m spacing), with a seed yield of 0.911 kg TS plant{sup -1} (1 kg total weight) with an oil content of 35% providing an annual oil yield of 1.42 t y{sup -1}. The corresponding yields of pruned leaves, fruit hulls and de-oiled cake are 0.97, 1.0, and 2.35 t VS ha y{sup -1}, respectively. An integrated scheme of producing biogas by means of anaerobic digestion of the latter components and oil for biodiesel would produce 90 GJ ha{sup -1} y{sup -1} in total with the oil being 54 GJ. The alternative biogas only option which would convert the seed oil into methane instead of biodiesel would produce 97 GJ ha{sup -1} y{sup -1}. (author)

  10. Perturbative and constructive renormalization

    International Nuclear Information System (INIS)

    Veiga, P.A. Faria da

    2000-01-01

    These notes are a survey of the material treated in a series of lectures delivered at the X Summer School Jorge Andre Swieca. They are concerned with renormalization in Quantum Field Theories. At the level of perturbation series, we review classical results as Feynman graphs, ultraviolet and infrared divergences of Feynman integrals. Weinberg's theorem and Hepp's theorem, the renormalization group and the Callan-Symanzik equation, the large order behavior and the divergence of most perturbation series. Out of the perturbative regime, as an example of a constructive method, we review Borel summability and point out how it is possible to circumvent the perturbation diseases. These lectures are a preparation for the joint course given by professor V. Rivasseau at the same school, where more sophisticated non-perturbative analytical methods based on rigorous renormalization group techniques are presented, aiming at furthering our understanding about the subject and bringing field theoretical models to a satisfactory mathematical level. (author)

  11. Perturbative quantum chromodynamics

    International Nuclear Information System (INIS)

    Brodsky, S.J.

    1979-12-01

    The application of QCD to hadron dynamics at short distances, where asymptotic freedom allows a systematic perturbative approach, is addressed. The main theme of the approach is to incorporate systematically the effects of the hadronic wave function in large momentum transfer exclusive and inclusive reactions. Although it is conventional to treat the hadron as a classical source of on-shell quarks, there are important dynamical effects due to hadronic constituent structure which lead to a broader testing ground for QCD. QCD predictions are discussed for exclusive processes and form factors at large momentum transfer in which the short-distance behavior and the finite compositeness of the hadronic wave functions play crucial roles. Many of the standard tests of QCD are reviewed including the predictions for R = sigma/sub e + e - →had//sigma/sub e + e - →μ + μ - /, the structure functions of hadrons and photons, jet phenomena, and the QCD corrections to deep inelastic processes. The exclusive-inclusive connection in QCD, the effects of power-law scale-breaking contributions, and the important role of the available energy in controlling logarithmic scale violations are also discussed. 150 references, 44 figures

  12. Low-Velocity Impact Wear Behavior of Ball-to-Flat Contact Under Constant Kinetic Energy

    Science.gov (United States)

    Wang, Zhang; Cai, Zhen-bing; Chen, Zhi-qiang; Sun, Yang; Zhu, Min-hao

    2017-11-01

    The impact tests were conducted on metallic materials with different bulk hardness and Young's moduli. Analysis of the dynamics response during the tribological process showed that the tested materials had similar energy absorption, where the peak contact force increased as the tests continued. Moreover, wear volume decreased with the increase in Young's modulus of metals, except for Cr with a relatively low hardness. Wear rate was gradually reduced to a steady stage with increasing cycles, which was attributed to the decrease in contact stress and work-hardening effect. The main wear mechanism of impact was characterized by delamination, and the specific surface degradation mechanisms were depending on the mechanical properties of materials. The absorbed energy was used to the propagation of micro-cracks in the subsurface instead of plastic deformation, when resistance of friction wear and plastic behavior was improved. Hence, both the hardness and Young's modulus played important roles in the impact wear of metallic materials.

  13. DINS measurements on VESUVIO in the Resonance Detector configuration: proton mean kinetic energy in water

    Science.gov (United States)

    Pietropaolo, Antonino; Andreani, Carla; Filabozzi, Alessandra; Senesi, Roberto; Gorini, Giuseppe; Perelli-Cippo, Enrico; Tardocchi, Marco; Rhodes, Nigel J.; Schooneveld, Erik M.

    2006-04-01

    Deep Inelastic Neutron Scattering (DINS) measurements have been performed on a liquid water sample at two different temperatures and pressures. The experiments were carried out using the VESUVIO spectrometer at the ISIS spallation neutron source. This experiment represents the first DINS measurement from water using the Resonance Detector configuration, employing yttrium-aluminum-perovskite scintillator and a 238U analyzer foil. The maximum energy of the scattered neutrons was about 70 eV, allowing to access an extended kinematic space with energy and wave vector transfers at the proton recoil peak in the range 1 eV <= hbarω <= 20 eV and 25 Å-1 <= q <= 90 Å-1, respectively. Comparison with DINS measurements on water performed in the standard Resonance Filter configuration indicates the potential advantages offered by the use of Resonance Detector approach for DINS measurements at forward scattering angles.

  14. Hydro-pneumatic accumulators for vehicles kinetic energy storage: Influence of gas compressibility and thermal losses on storage capability

    International Nuclear Information System (INIS)

    Puddu, Pierpaolo; Paderi, Maurizio

    2013-01-01

    In this work the differences between the thermodynamic behaviour of real and ideal gases are analysed to determine their influence on the processes of compression and expansion of a gas-charged accumulator. The behaviour of real gas has a significant influence on the size of accumulators used for Kinetic Energy Recovery of vehicles. In particular, it is underscored that the accumulator's design, based on ideal gas behaviour, provides undersized accumulators and therefore makes impossible the complete energy recovery for Hydraulic Energy Storage Systems (HES). The analysis of the thermodynamic properties of gases has shown that the main differences between ideal and real behaviour are due to gas compressibility. A mathematical model of a gas-charged accumulator is developed in order to analyse its real behaviour in presence of irreversible heat transfer and viscous losses. The simulation process of charging and discharging of a hydro-pneumatic accumulator, makes it clear that hydrodynamic and thermal losses are responsible for the characteristic hysteresis cycle on the p–V diagram. Different gases are tested as charged fluid of a hydro-pneumatic accumulator to simulate cyclic processes of charge and discharge. Results show different characteristics in terms of volumetric gas properties, thermal time-constant and thermal efficiency of the accumulator. - Highlights: • A dynamic model of a gas charged accumulator was developed. • Gas compressibility significantly influences the size of high-pressure accumulators. • A hysteresis loop is indicative of the thermal energy losses. • Loss increases with increasing the period of the cyclic process. • Thermal time constant is different from compression to expansion

  15. Kinetic mechanism of molecular energy transfer and chemical reactions in low-temperature air-fuel plasmas.

    Science.gov (United States)

    Adamovich, Igor V; Li, Ting; Lempert, Walter R

    2015-08-13

    This work describes the kinetic mechanism of coupled molecular energy transfer and chemical reactions in low-temperature air, H2-air and hydrocarbon-air plasmas sustained by nanosecond pulse discharges (single-pulse or repetitive pulse burst). The model incorporates electron impact processes, state-specific N(2) vibrational energy transfer, reactions of excited electronic species of N(2), O(2), N and O, and 'conventional' chemical reactions (Konnov mechanism). Effects of diffusion and conduction heat transfer, energy coupled to the cathode layer and gasdynamic compression/expansion are incorporated as quasi-zero-dimensional corrections. The model is exercised using a combination of freeware (Bolsig+) and commercial software (ChemKin-Pro). The model predictions are validated using time-resolved measurements of temperature and N(2) vibrational level populations in nanosecond pulse discharges in air in plane-to-plane and sphere-to-sphere geometry; temperature and OH number density after nanosecond pulse burst discharges in lean H(2)-air, CH(4)-air and C(2)H(4)-air mixtures; and temperature after the nanosecond pulse discharge burst during plasma-assisted ignition of lean H2-mixtures, showing good agreement with the data. The model predictions for OH number density in lean C(3)H(8)-air mixtures differ from the experimental results, over-predicting its absolute value and failing to predict transient OH rise and decay after the discharge burst. The agreement with the data for C(3)H(8)-air is improved considerably if a different conventional hydrocarbon chemistry reaction set (LLNL methane-n-butane flame mechanism) is used. The results of mechanism validation demonstrate its applicability for analysis of plasma chemical oxidation and ignition of low-temperature H(2)-air, CH(4)-air and C(2)H(4)-air mixtures using nanosecond pulse discharges. Kinetic modelling of low-temperature plasma excited propane-air mixtures demonstrates the need for development of a more accurate

  16. Modelling the mid-infrared drying of sweet potato: kinetics, mass and heat transfer parameters, and energy consumption

    Science.gov (United States)

    Onwude, Daniel I.; Hashim, Norhashila; Abdan, Khalina; Janius, Rimfiel; Chen, Guangnan

    2018-04-01

    This study investigated the drying kinetics, mass and heat transfer characteristics of sweet potato slices (0.4-0.6 cm thickness) during drying based on mid-infrared experimental set-up (intensity of 1100-1400 W/m2). Thin layer drying models were used to evaluate the drying kinetics of sweet potato slices. Two analytical models (Fick's diffusion model, and Dincer and Dost model) were used to study the mass transfer behaviour of sweet potato slices with and without shrinkage during mid-infrared drying. The heat transfer flux between the emitter and sweet potato slices was also investigated. Results demonstrated that an increase in infrared intensity from 1100 W/m2 to 1400 W/m2 resulted in increased in average radiation heat flux by 3.4 times and a 15% reduction in the overall drying time. The two-term exponential model was found to be the best in predicting the drying kinetics of sweet potato slices during mid-infrared drying. The specific heat consumption varied from 0.91-4.82 kWh/kg. The effective moisture diffusivity with and without shrinkage using the Fick's diffusion model varied from 2.632 × 10-9 to 1.596 × 10-8 m2/s, and 1.24 × 10-8 to 2.4 × 10-8 m2/s using Dincer and Dost model, respectively. The obtained values of mass transfer coefficient, Biot number and activation energy varied from 5.99 × 10-6 to 1.17 × 10-5 m/s, 0.53 to 2.62, and 12.83 kJ/mol to 34.64 kJ/mol, respectively. The values obtained for Biot number implied the existence of simultaneous internal and external resistances. The findings further explained that mid-infrared intensity of 1100 W/m2 did not significantly affect the quality of sweet potato during drying, demonstrating a great potential of applying low intensity mid-infrared radiation in the drying of agricultural crops.

  17. Analysis of a general circulation model. II - Distribution of kinetic energy in the South Atlantic and Kuroshio/Oyashio systems

    Science.gov (United States)

    Garraffo, Zulema; Garzoli, Silvia L.; Haxby, William; Olson, Donald

    1992-01-01

    It was found (Garzoli et al., 1992) that the general circulation model of Semtner and Chervin (1992) provides accurate descriptions of the Brazil-Malvinas and the Kuroshio/Oyashio confluence systems, except for the fact that the model prediction shows less variability than that present in observations. This paper investigates the problem of model variability by analyzing the mean and the eddy kinetic energy from the model and comparing the values with the Geosat altimeter observations for the South Atlantic Ocean and for the Kuroshio system. It is found that, while the model shows transient eddy activity in the areas that overlap the Geosat observations, the energy level of the model transient motions is considerably smaller following an arch along the bottom topography. The same was found from the comparisons made with values obtained from FGGE and surface drifters. It is suggested that the model is poorly resolving instabilities in the confluence front, and is not resolving other transients appearing in regions of marked topography.

  18. Analytical study on different blade-shape design of HAWT for wasted kinetic energy recovery system (WKERS)

    Science.gov (United States)

    Goh, J. B.; Jamaludin, Z.; Jafar, F. A.; Mat Ali, M.; Mokhtar, M. N. Ali; Tan, C. H.

    2017-06-01

    Wasted kinetic energy recovery system (WKERS) is a wind renewable gadget installed above a cooling tower outlet to harvest the discharged wind for electrical regeneration purpose. The previous WKERS is operated by a horizontal axis wind turbine (HAWT) with delta blade design but the performance is still not at the optimum level. Perhaps, a better blade-shape design should be determined to obtain the optimal performance, as it is believed that the blade-shape design plays a critical role in HAWT. Hence, to determine a better blade-shape design for a new generation of WKERS, elliptical blade, swept blade and NREL Phase IV blade are selected for this benchmarking process. NREL Phase IV blade is a modern HAWT’s blade design by National Renewable Energy Laboratory (NREL) research lab. During the process of benchmarking, Computational Fluid Dynamics (CFD) analysis was ran by using SolidWorks design software, where all the designs are simulated with linear flow simulation. The wind speed in the simulation is set at 10.0 m/s, which is compatible with the average wind speed produced by a standard size cooling tower. The result is obtained by flow trajectories of air motion, surface plot and cut plot of the applied blade-shape. Besides, the aspect ratio of each blade is calculated and included as one of the reference in the comparison. Hence, the final selection of the best blade-shape design will bring to the new generation of WKERS.

  19. Effect of anaerobic digestion on sequential pyrolysis kinetics of organic solid wastes using thermogravimetric analysis and distributed activation energy model.

    Science.gov (United States)

    Li, Xiaowei; Mei, Qingqing; Dai, Xiaohu; Ding, Guoji

    2017-03-01

    Thermogravimetric analysis, Gaussian-fit-peak model (GFPM), and distributed activation energy model (DAEM) were firstly used to explore the effect of anaerobic digestion on sequential pyrolysis kinetic of four organic solid wastes (OSW). Results showed that the OSW weight loss mainly occurred in the second pyrolysis stage relating to organic matter decomposition. Compared with raw substrate, the weight loss of corresponding digestate was lower in the range of 180-550°C, but was higher in 550-900°C. GFPM analysis revealed that organic components volatized at peak temperatures of 188-263, 373-401 and 420-462°C had a faster degradation rate than those at 274-327°C during anaerobic digestion. DAEM analysis showed that anaerobic digestion had discrepant effects on activation energy for four OSW pyrolysis, possibly because of their different organic composition. It requires further investigation for the special organic matter, i.e., protein-like and carbohydrate-like groups, to confirm the assumption. Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. Kinetic energy measurement of hydrogen in LHD peripheral plasma with a multi-wavelength-range fine-resolution spectrometer

    International Nuclear Information System (INIS)

    Fujii, Keisuke; Mizushiri, Keisuke; Nishioka, Tomomi; Shikama, Taiichi; Iwamae, Atsushi; Goto, Motoshi; Morita, Shigeru; Hasuo, Masahiro

    2010-01-01

    We have simultaneously measured high resolution emission spectra of the hydrogen atomic Balmer-α, -β, -γ lines and molecular Fulcher-α band for a LHD peripheral plasma generated under a central magnetic field strength of 0.4 T. It is found that the velocity distributions of excited atoms calculated from the Balmer-α, -β, and -γ line shapes show similar profiles to each other. The translational kinetic energy corresponding to the average velocity is about 13 eV, which is about 300 times larger than the rotational energy of hydrogen molecules estimated from the line intensities in the Fulcher-α band. The velocity distributions differ from Maxwellian and have a high velocity tail over 1x10 5 m/s. A correlation between the high velocity tail and the electron temperature and density is seen and suggesting the excited atoms having such high velocities to be generated by the charge exchange collisions from high velocity protons in the peripheral region.